Accuracy

2,5-dihydrothiophene sulfone   2142 2,5-Dihydrothiophene sulfone

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    #  Species Formula
  2132 PhenoxathiinC12H8OS
  2133 Diphenyl sulfoxideC12H10OS
  2134 ThioxanthoneC13H8OS
  2135 Bis-diethylamine sulfoxideC8H20N2OS
  2136 Sulfur dioxide (Geo)O2S
  2137 Sulfur dioxideO2S
  2138 S(OH)2H2O2S
  2139 Dimethyl sulfoneC2H6O2S
  2140 Dimethyl sulfone (Geo)C2H6O2S
  2141 Methylethyl sulfoneC3H8O2S
  2142 2,5-Dihydrothiophene sulfone C4H6O2S
  2143 Divinyl sulfoneC4H6O2S
  2144 Diethyl sulfoneC4H10O2S
  2145 Methyl-i-propyl sulfoneC4H10O2S
  2146 Methyl n-butyl sulfoneC5H12O2S
  2147 Methyl-t-butyl sulfoneC5H12O2S
  2148 Di-n-propyl sulfoneC6H14O2S
  2149 Ethyl-t-butyl sulfoneC6H14O2S
  2150 Diethoxy ethylthiomethaneC7H16O2S
  2151 Benzyl methyl sulfoneC8H10O2S
  2152 p-Tolyl methyl sulfoneC8H10O2S


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.
  
 PM7
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