N-[4-[(E)-N-[(N-Hydroxycarbamimidoyl)Amino]-C-Methyl-Carbonimidoyl]Phenyl]-7-Nitro-5H-Indol-1-Ium-5-Ide-2-Carboxamide

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Properties Simple | Detailed

Formula C18H17N7O4+
IUPAC Name n-[4-[(e)-n-[(n-hydroxycarbamimidoyl)amino]-c-methyl-carbonimidoyl]phenyl]-7-nitro-5h-indol-1-ium-5-ide-2-carboxamide
Molecular Mass 395.372 g·mol−1
Heat of Formation 223.3 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 439.61 Å 3
Surface Area 405.96 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
InChIKey LLJQCZDENZKCTF-LSHDLFTRSA-O
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