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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Elements |
H
C
O
N
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