PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

s-ethylthioacetate   2129 S-Ethylthioacetate

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    #  Species Formula
  2119 ThioureaCH4N2S
  2120 TetramethylthioureaC5H12N2S
  2121 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2122 Sulfur monoxide (triplet)OS
  2123 HOSHOS
  2124 Carbon oxysulfideCOS
  2125 Ethyne sulfenic acidC2H2OS
  2126 Thiolacetic acidC2H4OS
  2127 Dimethyl sulfoxideC2H6OS
  2128 Dimethyl sulfoxide (Geo)C2H6OS
  2129 S-Ethylthioacetate C4H8OS
  2130 Diethyl sulfoxideC4H10OS
  2131 Benzenesulfenic acidC6H6OS
  2132 Dipropyl sulfoxideC6H14OS
  2133 PhenoxathiinC12H8OS
  2134 Diphenyl sulfoxideC12H10OS
  2135 ThioxanthoneC13H8OS
  2136 Bis-diethylamine sulfoxideC8H20N2OS
  2137 Sulfur dioxide (Geo)O2S
  2138 Sulfur dioxideO2S
  2139 S(OH)2H2O2S


ΔHf: -54.5 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
S-Ethylthioacetate
 H=-54.5 HR=WHSMC03
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.81445216 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.84081063 +1  101.3917035 +1    0.0000000 +0     1     2     0
  C     1.51683141 +1  109.4032216 +1 -179.9459453 +1     3     1     2
  O     1.19843369 +1  120.8641842 +1    0.1027451 +1     2     1     3
  C     1.48880651 +1  114.4119259 +1 -179.9632356 +1     2     1     5
  H     1.10747105 +1  109.2721388 +1  122.0647333 +1     3     1     4
  H     1.10722430 +1  109.2967503 +1  115.7617188 +1     3     1     7
  H     1.09870105 +1  112.6797379 +1  -60.8373224 +1     4     3     1
  H     1.09867688 +1  112.6980422 +1  121.8075744 +1     4     3     9
  H     1.10037391 +1  110.4341246 +1  119.0816563 +1     4     3    10
  H     1.10142899 +1  112.4447206 +1  -59.2822940 +1     6     2     1
  H     1.10150675 +1  112.3097283 +1  120.9182144 +1     6     2    12
  H     1.10387164 +1  110.7739071 +1  119.4566227 +1     6     2    13