Formula |
C36H39FN6O3++ |
IUPAC Name |
6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-1h-pyridin-1-ium-3-yl]-2-(hydroxymethyl)phenyl]-8-fluoro-2h-isoquinolin-2-ium-1-one |
Molecular Mass |
622.732 g·mol−1 |
Heat of Formation |
-131.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.03 ± 1.08 D |
Volume |
727.83 Å 3 |
Surface Area |
612.03 Å 2 |
HOMO Energy |
-8.10 ± 0.55 eV |
LUMO Energy |
-0.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GOXMNRJCRDHRBQ-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
F
O
N
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