5H,7H-2,3-Dioxa-2Alambda4,6-Dithia-1,4-Diazacyclopent(Cd)Indene

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Formula C5H4N2O2S2
IUPAC Name 5h,7h-2,3-dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene
Molecular Mass 188.227 g·mol−1
Heat of Formation 155.9 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 176.87 Å 3
Surface Area 171.68 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,7-dioxa-2,6-diaza-4,7a-dithia-3h,5h-benzo(cd)pentalene
  • hep-ii
CAS Number(s)
  • 85579-17-5
InChIKey QIOKDHLEWQMZFX-UHFFFAOYSA-N
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