Accuracy
(CH3O)(C2H5O)SO
2171 (CH3O)(C2H5O)SO
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Geometry predicted using PM7
ΔHf: -125.2 kcal/mol, REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
PM7
(CH3O)(C2H5O)SO
HR=WHSMC03 H=-125.2
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.67413658 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.65194543 +1 99.0222732 +1 0.0000000 +0 1 2 0
O 1.46203649 +1 104.6868965 +1 -112.4896297 +1 1 2 3
C 1.40431864 +1 122.5212379 +1 100.4981760 +1 2 1 3
C 1.40676992 +1 126.5492939 +1 -66.6087902 +1 3 1 2
C 1.52230762 +1 111.3055047 +1 -72.8662125 +1 6 3 1
XX 0.95605900 +1 123.2142870 +1 56.4354290 +1 4 1 2
H 1.09634023 +1 109.5714746 +1 -82.7612804 +1 5 2 1
H 1.09851841 +1 112.0002530 +1 123.1187058 +1 5 2 9
H 1.09948881 +1 103.7879828 +1 118.9923487 +1 5 2 10
H 1.10505832 +1 109.6882112 +1 125.0365816 +1 6 3 7
H 1.11043952 +1 101.9704919 +1 115.6389733 +1 6 3 12
H 1.09739378 +1 111.1612890 +1 -51.0562631 +1 7 6 3
H 1.10066704 +1 111.9567761 +1 118.8842678 +1 7 6 14
H 1.09426042 +1 111.4835006 +1 120.6755556 +1 7 6 15