6-(1H-Benzo[D]Imidazol-1-Yl)-N-Hydroxy-5-(4-((4-((4-Methylpiperazin-1-Yl)Methyl)Phenyl)Ethynyl)Phenyl)Nicotinamide

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Properties Simple | Detailed

Formula C32H29N7O2
IUPAC Name 6-(2h-benzimidazol-1-ium-2-ylium-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
Molecular Mass 543.618 g·mol−1
Heat of Formation 662.3 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 647.06 Å 3
Surface Area 561.25 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
InChIKey YJCPLYNHCKYCMY-UHFFFAOYSA-N
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