Isopropenyl 7-Chloro-2,2-Dimethyl-3-Thioxo-3,4-Dihydro-1(2H)-Quinoxalinecarboxylate

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Properties Simple | Detailed

Formula C14H15ClN2O2S
IUPAC Name isopropenyl 7-chloro-2,2-dimethyl-3-thioxo-4h-quinoxaline-1-carboxylate
Molecular Mass 310.799 g·mol−1
Heat of Formation -171.5 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 351.5 Å 3
Surface Area 304.21 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1(2h)-quinoxalinecarboxylic acid, 7-chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-, 1-methylethenyl ester
  • 1-methylethenyl 7-chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-1(2h)-quinoxalinecarboxylate
  • 6-chloro-3,3-dimethyl-4-(isopropenyloxycarbonyl)-3,4-dihydroquinoxalin-2(1h)-thione
  • 7-chloro-2,2-dimethyl-3-thioxo-4h-quinoxaline-1-carboxylic acid isopropenyl ester
  • isopropenyl 7-chloro-2,2-dimethyl-3-thioxo-4h-quinoxaline-1-carboxylate
  • s 2720
  • s-2720
  • s2720
CAS Number(s)
  • 146739-86-8
InChIKey UNOJVGJCKUQAGH-UHFFFAOYSA-N
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