Accuracy
dipropyl sulfate
2185 Dipropyl sulfate
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Geometry predicted using PM7
ΔHf: -189.3 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Dipropyl sulfate
H=-189.3 HR=NIST
C -0.35428333 +1 -0.33030394 +1 -0.35385828 +1
S 2.26618495 +1 0.12935929 +1 -0.02981800 +1
C 3.48514055 +1 2.39266715 +1 -0.73316267 +1
O 2.76441656 +1 0.49062566 +1 1.26714650 +1
O 2.37824034 +1 -1.20556422 +1 -0.54535697 +1
C -0.75183531 +1 -1.00550873 +1 0.96123619 +1
C 2.43863386 +1 3.39091922 +1 -0.23903761 +1
O 0.68966896 +1 0.60150616 +1 -0.13540083 +1
O 2.91079647 +1 1.16237993 +1 -1.13654654 +1
C -0.34656829 +1 -2.47607379 +1 0.99386140 +1
C 1.37028656 +1 3.65215152 +1 -1.29703098 +1
H -0.07334127 +1 -1.05158656 +1 -1.14404624 +1
H -1.15526852 +1 0.33497589 +1 -0.73740717 +1
H 3.95766750 +1 2.72151577 +1 -1.68299801 +1
H 4.26875364 +1 2.20336045 +1 0.02617947 +1
H -0.29646680 +1 -0.45928200 +1 1.81439724 +1
H -1.84341363 +1 -0.91121288 +1 1.11866228 +1
H 2.94163442 +1 4.33820112 +1 0.03902187 +1
H 1.96529820 +1 3.02985796 +1 0.69830917 +1
H -0.50175746 +1 -2.91252068 +1 1.98632294 +1
H 0.71672314 +1 -2.61291689 +1 0.74364906 +1
H -0.92157622 +1 -3.07210604 +1 0.27704656 +1
H 0.60015891 +1 4.33661534 +1 -0.92691971 +1
H 0.86464320 +1 2.71820792 +1 -1.58482705 +1
H 1.79625556 +1 4.08600615 +1 -2.20745994 +1