Propionopyrrothine

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Properties Simple | Detailed

Formula C9H12N2O2S2
IUPAC Name n-(4-methyl-5-oxodithiolo[3,4-d]pyrrol-6-yl)propanamide
Molecular Mass 244.334 g·mol−1
Heat of Formation -152.8 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 262.24 Å 3
Surface Area 248.98 Å 2
HOMO Energy -7.93 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • aureothricin
  • n-(4,5-dihydro-4-methyl-5-oxo-1,2-dithiolopyrrol-6-yl)-propanamide
  • n-(4-methyl-5-oxo-6-dithiolo[3,4-d]pyrrolyl)propanamide
  • n-(4-methyl-5-oxo-[1,2]dithiolo[3,4-d]pyrrol-6-yl)propanamide
  • n-(4-methyl-5-oxo-dithiolo[3,4-d]pyrrol-6-yl)propanamide
  • n-(5-keto-4-methyl-dithiolo[3,4-d]pyrrol-6-yl)propionamide
CAS Number(s)
  • 574-95-8
InChIKey UGZYFXMSMFMTSM-UHFFFAOYSA-N
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