Formula |
C34H34Cl2N6O3 |
IUPAC Name |
n-[[2-chloro-5-[1-[3-[4-(6-chloro-3-methyl-2-oxo-7h-benzimidazole-1,3-diium-6,7-diid-1-yl)-1-piperidyl]propyl]-6-oxo-pyridazin-3-yl]phenyl]methyl]benzamide |
Molecular Mass |
645.578 g·mol−1 |
Heat of Formation |
-99.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.18 ± 1.08 D |
Volume |
740.83 Å 3 |
Surface Area |
631.24 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
1.97 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZJXORVFCSQEKCZ-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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