Accuracy
2,5-dihydrothiophene
2081 2,5-Dihydrothiophene
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Geometry predicted using PM7
ΔHf: 20.9 kcal/mol, REF: J. V. Davis, S. Sunner, Acta Chem. Scand., 16, 1870 (1962).
PM7
2,5-Dihydrothiophene
H=20.9 HR=DS1962
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.48879051 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.33892448 +1 117.5470020 +1 0.0000000 +0 2 1 0
C 1.48897359 +1 117.5716585 +1 -0.0069666 +1 3 2 1
S 1.84904233 +1 105.1605307 +1 0.0504185 +1 4 3 2
H 1.10521966 +1 112.3349814 +1 119.6334809 +1 4 3 2
H 1.10522795 +1 112.3209355 +1 -119.5157671 +1 4 3 2
H 1.08310887 +1 124.6833656 +1 -179.9969338 +1 3 2 1
H 1.08305627 +1 124.6978564 +1 179.9968704 +1 2 3 4
H 1.10511803 +1 112.3815918 +1 119.4998013 +1 1 2 3
H 1.10512223 +1 112.3895891 +1 -119.6117790 +1 1 2 3