Formula |
C36H37FN6O3 |
IUPAC Name |
6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one |
Molecular Mass |
620.716 g·mol−1 |
Heat of Formation |
-131.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.07 ± 1.08 D |
Volume |
728.86 Å 3 |
Surface Area |
612.81 Å 2 |
HOMO Energy |
-8.07 ± 0.55 eV |
LUMO Energy |
-0.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GOXMNRJCRDHRBQ-UHFFFAOYSA-P |
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Links |
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Elements |
H
C
F
O
N
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