PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diethyl sulfoxide
2130 Diethyl sulfoxide
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ΔHf: -49.1 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Diethyl sulfoxide
H=-49.1 HR=C&P1970
S -0.01460471 +1 -0.01697078 +1 -0.04009293 +1
C 1.82375917 +1 0.13820200 +1 0.01814207 +1
C -0.49377026 +1 1.76431432 +1 0.06435162 +1
O -0.37214209 +1 -0.58018490 +1 1.28775579 +1
C 2.39722736 +1 0.42032082 +1 -1.35691023 +1
C -0.84864759 +1 2.30851866 +1 -1.30684188 +1
H 2.13894498 +1 0.90037575 +1 0.74921449 +1
H 2.21145573 +1 -0.81790992 +1 0.42041471 +1
H -1.36135255 +1 1.82863016 +1 0.74992079 +1
H 0.29050666 +1 2.37257223 +1 0.54106310 +1
H 3.49668498 +1 0.43276147 +1 -1.32195929 +1
H -1.21569759 +1 3.34292955 +1 -1.22955282 +1
H 2.12273606 +1 -0.34559718 +1 -2.09481639 +1
H 2.08787942 +1 1.39516321 +1 -1.75356040 +1
H 0.01032949 +1 2.33391146 +1 -1.98822345 +1
H -1.64631434 +1 1.73208349 +1 -1.79566577 +1