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ethyl-t-butyl sulfone   2149 Ethyl-t-butyl sulfone

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    #  Species Formula
  2139 Dimethyl sulfoneC2H6O2S
  2140 Dimethyl sulfone (Geo)C2H6O2S
  2141 Methylethyl sulfoneC3H8O2S
  2142 2,5-Dihydrothiophene sulfoneC4H6O2S
  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 sulfone C6H14O2S
  2150 Diethoxy ethylthiomethaneC7H16O2S
  2151 Benzyl methyl sulfoneC8H10O2S
  2152 p-Tolyl methyl sulfoneC8H10O2S
  2153 Di-i-butyl sulfoneC8H18O2S
  2154 Di-n-butyl sulfoneC8H18O2S
  2155 Di-tert-butyl sulfoneC8H18O2S
  2156 Diisobutyl sulfoneC8H18O2S
  2157 (E)-1-Methyl-4-(1-propenyl-sulfonyl)-benzeneC10H12O2S
  2158 1-Methyl-4-(1-methyl-ethenylsulfonyl) benzeneC10H12O2S
  2159 2-Butenyl p-tolyl sulfoneC11H14O2S


ΔHf: -117.4 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
Ethyl-t-butyl sulfone
 H=-117.44 HR=NIST
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     2.53786673 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.90565533 +1   65.0599284 +1    0.0000000 +0     1     2     0
  S     1.80424577 +1   76.4607507 +1  -83.0755421 +1     3     1     2
  C     1.83638392 +1  106.0728817 +1   26.6011666 +1     4     3     1
  C     1.09475092 +1   88.8066133 +1 -101.7445617 +1     1     2     3
  H     1.77543289 +1  120.6875371 +1   80.6218153 +1     2     1     3
  O     1.45034038 +1  107.5467023 +1  114.3263092 +1     4     3     5
  O     1.45031817 +1  107.6908729 +1  131.3450833 +1     4     3     8
  H     1.76034350 +1   59.5677271 +1   73.6396419 +1     7     2     1
  H     2.19756026 +1   92.7683340 +1 -155.8660465 +1     5     4     3
  H     1.10593648 +1   93.2950324 +1  109.6455874 +1     3     1     4
  H     1.77215639 +1   66.2076393 +1  -91.4240587 +1    11     5     4
  H     1.76360748 +1   59.8318054 +1  -74.7595751 +1    13    11     5
  H     1.10530863 +1   43.7927304 +1  110.5025950 +1     3     1    12
  C     1.52257667 +1  150.4663008 +1   31.6427707 +1     3     1    15
  C     1.10182748 +1   35.9304367 +1  -39.5331836 +1     7     2    10
  C     1.10050256 +1   40.1026475 +1  -32.5865230 +1    11     5    13
  H     1.10176264 +1  107.8994520 +1  153.3713578 +1     6     1     2
  H     1.09870108 +1  106.6061093 +1  113.7504774 +1     6     1    19
  H     1.10079566 +1  112.2697491 +1  160.0382575 +1    16     3     1
  H     1.10124826 +1  112.2145900 +1 -120.8026436 +1    16     3    21
  H     1.09744611 +1  111.0783703 +1 -119.5943293 +1    16     3    22