Accuracy

thiolacetic acid   2125 Thiolacetic acid

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    #  Species Formula
  2115 BenzenecarbothioamideC7H8NS
  2116 N,N-(Dimethyl)thiobenzamideC9H11NS
  2117 PhenothiazineC12H9NS
  2118 ThioureaCH4N2S
  2119 TetramethylthioureaC5H12N2S
  2120 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazineC10H19N5S
  2121 Sulfur monoxide (triplet)OS
  2122 HOSHOS
  2123 Carbon oxysulfideCOS
  2124 Ethyne sulfenic acidC2H2OS
  2125 Thiolacetic acid C2H4OS
  2126 Dimethyl sulfoxideC2H6OS
  2127 Dimethyl sulfoxide (Geo)C2H6OS
  2128 S-EthylthioacetateC4H8OS
  2129 Diethyl sulfoxideC4H10OS
  2130 Benzenesulfenic acidC6H6OS
  2131 Dipropyl sulfoxideC6H14OS
  2132 PhenoxathiinC12H8OS
  2133 Diphenyl sulfoxideC12H10OS
  2134 ThioxanthoneC13H8OS
  2135 Bis-diethylamine sulfoxideC8H20N2OS


ΔHf: -43.5 kcal/mol,     REF: S. W. Benson, F. R. Cruickshank, D. M. Golden, G. R. Haugen, H. E. O'Neal, A. S. Rodgers, R. Shaw, R. Walsh, Chem. Rev., 69, 279 (1969).
I.P.: 9.7 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Thiolacetic acid
 H=-43.5 I=9.7 IR=LLNBS82 HR=BCGH1969
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.48661659 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     1.82086674 +1  114.9243390 +1    0.0000000 +0     2     1     0
  H     1.34253883 +1   98.9524245 +1 -179.9352286 +1     3     2     1
  O     1.19683925 +1  120.2639465 +1   -0.0517475 +1     2     3     4
  H     1.09894154 +1  115.3011888 +1  179.8929938 +1     1     2     5
  H     1.10473201 +1  110.4076633 +1   58.4429890 +1     1     2     5
  H     1.10471937 +1  110.3947479 +1  -58.6701867 +1     1     2     5