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

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Formula C5H4N2O4S2
IUPAC Name 5h,7h-2,3-dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene, 6,6-dioxide
Molecular Mass 220.226 g·mol−1
Heat of Formation -172.1 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 197.02 Å 3
Surface Area 186.76 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,7-dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3h,5h-benzo(cd)pentalene
  • hep-iv
CAS Number(s)
  • 85579-27-7
InChIKey IHDOGRRSSMKJIK-UHFFFAOYSA-N
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