Accuracy

phenothiazine   2117 Phenothiazine

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    #  Species Formula
  2107 Sulfur nitrideNS
  2108 Hydrogen isothiocyanateHCNS
  2109 Methyl isothiocyanate (Geo)C2H3NS
  2110 Methyl isothiocyanateC2H3NS
  2111 Methyl thiocyanateC2H3NS
  2112 EthanethioamideC2H5NS
  2113 4-MethylthiazoleC4H5NS
  2114 BenzothiazoleC7H5NS
  2115 BenzenecarbothioamideC7H8NS
  2116 N,N-(Dimethyl)thiobenzamideC9H11NS
  2117 Phenothiazine C12H9NS
  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 acidC2H4OS
  2126 Dimethyl sulfoxideC2H6OS
  2127 Dimethyl sulfoxide (Geo)C2H6OS


ΔHf: 66.5 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
Phenothiazine
 H=66.49 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38940657 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39372315 +1  120.4712570 +1    0.0000000 +0     2     1     0
  C     1.39360366 +1  119.9348068 +1    0.0059380 +1     3     2     1
  C     1.39192748 +1  120.2826632 +1   -0.0100840 +1     4     3     2
  C     1.40828501 +1  119.7563289 +1    0.0116766 +1     1     2     3
  N     1.39832827 +1  117.3564919 +1  179.9800270 +1     6     1     2
  C     1.39824438 +1  125.3857218 +1 -179.8547080 +1     7     6     1
  C     1.40826560 +1  117.3663800 +1  179.8916422 +1     8     7     6
  C     1.38945951 +1  119.7366329 +1 -179.9810331 +1     9     8     7
  C     1.39367683 +1  120.4916869 +1    0.0107131 +1    10     9     8
  C     1.39366454 +1  119.9299767 +1   -0.0125798 +1    11    10     9
  C     1.40316614 +1  123.0256779 +1   -0.1174872 +1     8     7     6
  S     1.76170896 +1  117.4760424 +1  179.9445632 +1     5     4     3
  H     1.08638676 +1  119.9446617 +1  179.9946270 +1     1     2     3
  H     1.09010290 +1  119.6354748 +1 -179.9985991 +1     2     1     6
  H     1.08685982 +1  120.1207567 +1 -179.9897310 +1     3     2     1
  H     1.09296740 +1  119.0038098 +1  179.9928355 +1     4     3     2
  H     1.01435011 +1  117.2893750 +1   -0.0221410 +1     7     6     1
  H     1.08635416 +1  120.3255472 +1   -0.0032005 +1     9     8     7
  H     1.09012340 +1  119.6262549 +1 -179.9939325 +1    10     9     8
  H     1.08682880 +1  120.1279096 +1  179.9943868 +1    11    10     9
  H     1.09295753 +1  118.9899149 +1  179.9919127 +1    12    11    10