3-Bromo-N-[4-(1-{2-[(Diaminomethylene)Amino]-2-Oxoethyl}-5-Phenyl-1H-Pyrrol-2-Yl)Phenyl]Benzamide

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Formula C26H22BrN5O2
IUPAC Name 3-bromo-n-[4-[1-(2-guanidino-2-oxo-ethyl)-2-phenyl-3h-pyrrol-1-ium-3-id-5-yl]phenyl]benzamide
Molecular Mass 516.389 g·mol−1
Heat of Formation 160.3 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 549.58 Å 3
Surface Area 468.19 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bromo-n-[4-[1-(2-guanidino-2-keto-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
  • 3-bromo-n-[4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
  • 3-bromo-n-[4-[1-(2-guanidino-2-oxoethyl)-5-phenyl-2-pyrrolyl]phenyl]benzamide
  • 3-bromo-n-[4-[1-[2-(diaminomethylideneamino)-2-oxo-ethyl]-5-phenyl-pyrrol-2-yl]phenyl]benzamide
  • 3-bromo-n-[4-[1-[2-(diaminomethylideneamino)-2-oxoethyl]-5-phenylpyrrol-2-yl]phenyl]benzamide
InChIKey XWWAMKGNSKOVNS-UHFFFAOYSA-N
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Elements H C Br O N