Accuracy
divinyl sulfone
2143 Divinyl sulfone
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Geometry predicted using PM7
ΔHf: -36.0 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Divinyl sulfone
H=-36.0 HR=C&P1970
S -0.12969366 +1 0.03954916 +1 -0.13920410 +1
C 1.63077974 +1 -0.01365086 +1 -0.13923320 +1
C 2.37932607 +1 1.05440491 +1 -0.39359928 +1
C -0.53601246 +1 -0.10929549 +1 1.56787073 +1
C -0.83898700 +1 -1.27071300 +1 2.13763681 +1
O -0.53859383 +1 1.36068174 +1 -0.57396901 +1
O -0.60577570 +1 -1.14762534 +1 -0.82011418 +1
H 2.06164238 +1 -0.99382710 +1 0.05633339 +1
H -0.54896665 +1 0.83117707 +1 2.11733496 +1
H 1.98261780 +1 2.04363916 +1 -0.61738844 +1
H 3.46271065 +1 1.02999624 +1 -0.40663044 +1
H -1.09659482 +1 -1.36662559 +1 3.18616823 +1
H -0.87124790 +1 -2.22472366 +1 1.61440296 +1