N-Carbamimidoyl-2-Methyl-5-(Methylsulfonyl)-4-(1H-Pyrrol-1-Yl)Benzamide

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Formula C14H16N4O3S
IUPAC Name n-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-(2h-pyrrol-1-ium-2-ylium-1-yl)benzamide
Molecular Mass 320.367 g·mol−1
Heat of Formation -281.1 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 354.36 Å 3
Surface Area 316.11 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • n-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-(1-pyrrolyl)benzamide
  • n-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzamide
  • n-(diaminomethylene)-5-(methylsulfonyl)-4-pyrrol-1-yl-o-toluamide
  • n-(diaminomethylene)-5-mesyl-2-methyl-4-pyrrol-1-yl-benzamide
  • n-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-yl-benzamide
  • n-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzamide
CAS Number(s)
  • 176644-21-6
InChIKey UADMBZFZZOBWBB-UHFFFAOYSA-N
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