N-[[4-[5-(3-Acetamidophenyl)-2-(2-Aminopyridin-1-Ium-3-Id-3-Yl)Imidazo[4,5-B]Pyridine-1,4-Diium-3-Yl]Phenyl]Methyl]-3-Fluoro-Benzamide

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Properties Simple | Detailed

Formula C33H27FN7O2
IUPAC Name n-[[4-[5-(3-acetamidophenyl)-2-(2-aminopyridin-1-ium-3-id-3-yl)imidazo[4,5-b]pyridine-1,4-diium-3-yl]phenyl]methyl]-3-fluoro-benzamide
Molecular Mass 572.612 g·mol−1
Heat of Formation 118.9 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 666.9 Å 3
Surface Area 551.08 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey MJRIJDQCTOEXQC-UHFFFAOYSA-O
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