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

Molecule SVG Image

Properties Simple | Detailed

Formula C7H6N2O2S2
IUPAC Name n-(5-oxo-4h-dithiolo[4,3-b]pyrrol-6-yl)acetamide
Molecular Mass 214.265 g·mol−1
Heat of Formation -131.1 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 221.32 Å 3
Surface Area 213.33 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 1.57 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N