6-Acetamido-1,2-Dithiolo[4,3-B]Pyrrol-5(4H)-One

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Properties Simple | Detailed

Formula C7H8N2O2S2
IUPAC Name n-(5-oxo-4h-dithiolo[3,4-d]pyrrol-6-yl)acetamide
Molecular Mass 216.281 g·mol−1
Heat of Formation -124.7 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 219.38 Å 3
Surface Area 212.72 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • n-(5-keto-4h-dithiolo[3,4-d]pyrrol-6-yl)acetamide
  • n-(5-oxo-4h-[1,2]dithiolo[3,4-d]pyrrol-6-yl)ethanamide
InChIKey HBUNPJGMNVQSBX-UHFFFAOYSA-N
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