Accuracy
2,5-dihydrothiophene sulfone
1543 2,5-Dihydrothiophene sulfone
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Geometry predicted using PM7
ΔHf: -61.1 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.
2,5-Dihydrothiophene sulfone
H=-61.1 HR=NIST
S -0.02745444 +1 -0.01625614 +1 0.00243885 +1
C 1.78260401 +1 -0.02337307 +1 0.02314935 +1
C 2.15562083 +1 1.41859425 +1 -0.01970905 +1
C 1.15547758 +1 2.31146274 +1 -0.06001826 +1
C -0.23620219 +1 1.78050359 +1 -0.05867986 +1
O -0.49217079 +1 -0.59284198 +1 -1.23731395 +1
O -0.52074798 +1 -0.51143612 +1 1.26617089 +1
H 2.19703548 +1 -0.58707578 +1 -0.83476937 +1
H 2.17750951 +1 -0.52988281 +1 0.92456512 +1
H 3.20771699 +1 1.67229534 +1 -0.01620373 +1
H 1.28944870 +1 3.38494714 +1 -0.09332689 +1
H -0.82395472 +1 2.15247548 +1 0.80246026 +1
H -0.80299307 +1 2.09456065 +1 -0.95624551 +1