(3Ar,7As)-2-[(Trichloromethyl)Sulfanyl]-3A,4,7,7A-Tetrahydro-1H-Isoindole-1,3(2H)-Dione

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Properties Simple | Detailed

Formula C9H8Cl3NO2S
IUPAC Name (3ar,7as)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular Mass 300.589 g·mol−1
Heat of Formation -343.4 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 290.02 Å 3
Surface Area 250.29 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry Cs
Synonyms
  • (3ar,7as)-2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
  • (3ar,7as)-2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
  • (3ar,7as)-2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone
InChIKey LDVVMCZRFWMZSG-OLQVQODUSA-N
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Elements C Cl H O N S