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

4,6-bis(isopropylamino)-2-methylmercapto)-s-triazine   2121 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine

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    #  Species Formula
  2111 Methyl isothiocyanateC2H3NS
  2112 Methyl thiocyanateC2H3NS
  2113 EthanethioamideC2H5NS
  2114 4-MethylthiazoleC4H5NS
  2115 BenzothiazoleC7H5NS
  2116 BenzenecarbothioamideC7H8NS
  2117 N,N-(Dimethyl)thiobenzamideC9H11NS
  2118 PhenothiazineC12H9NS
  2119 ThioureaCH4N2S
  2120 TetramethylthioureaC5H12N2S
  2121 4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine C10H19N5S
  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-EthylthioacetateC4H8OS
  2130 Diethyl sulfoxideC4H10OS
  2131 Benzenesulfenic acidC6H6OS


ΔHf: 1.6 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
4,6-Bis(isopropylamino)-2-methylmercapto)-s-triazine
 H=1.6 HR=NIST
  N     0.02781352 +1  -0.01955734 +1  -0.03213276 +1
  C     1.38582445 +1  -0.04135288 +1   0.12956607 +1
  N     2.16146829 +1   1.09686658 +1   0.28067983 +1
  C     1.48977885 +1   2.26522643 +1   0.29287447 +1
  N     0.15519129 +1   2.40292975 +1   0.15809360 +1
  C    -0.55185079 +1   1.22908418 +1  -0.00316337 +1
  N    -1.90158880 +1   1.26596368 +1  -0.14702902 +1
  C    -2.66601003 +1   2.52708431 +1  -0.15113486 +1
  C    -3.34978987 +1   2.68619354 +1  -1.51632145 +1
  C    -3.69816890 +1   2.47655639 +1   0.98402549 +1
  N     2.04853679 +1  -1.22985029 +1   0.19512948 +1
  C     1.37596519 +1  -2.50743239 +1  -0.11444451 +1
  C     1.31919783 +1  -2.72649843 +1  -1.63248757 +1
  C     2.16220121 +1  -3.62840162 +1   0.57815832 +1
  S     2.39332523 +1   3.77760249 +1   0.49863041 +1
  C     4.10586071 +1   3.19999465 +1   0.67653048 +1
  H    -2.40449950 +1   0.39793481 +1  -0.27343625 +1
  H    -1.96065872 +1   3.39089765 +1   0.01913054 +1
  H    -4.04900664 +1   1.87129314 +1  -1.72732497 +1
  H    -2.60828071 +1   2.70443111 +1  -2.32592538 +1
  H    -3.90805453 +1   3.62713671 +1  -1.56290493 +1
  H    -4.41052929 +1   1.65534980 +1   0.86028663 +1
  H    -3.20495913 +1   2.34366860 +1   1.95639406 +1
  H    -4.26934415 +1   3.40998429 +1   1.03121424 +1
  H     3.06139371 +1  -1.21243417 +1   0.19259738 +1
  H     0.32820523 +1  -2.46183112 +1   0.29713139 +1
  H     2.31322769 +1  -2.72035793 +1  -2.08944232 +1
  H     0.72750206 +1  -1.93525149 +1  -2.11488177 +1
  H     0.84285419 +1  -3.68216355 +1  -1.87405069 +1
  H     2.25605560 +1  -3.44086585 +1   1.65576128 +1
  H     3.17193141 +1  -3.74044175 +1   0.16959042 +1
  H     1.64880968 +1  -4.58878018 +1   0.45651831 +1
  H     4.21416078 +1   2.48285510 +1   1.50128167 +1
  H     4.46310002 +1   2.69438118 +1  -0.22947194 +1
  H     4.74520514 +1   4.06617238 +1   0.87626608 +1