Formula |
C34H32ClFN6O2 |
IUPAC Name |
4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-fluoro-n-[(1r)-1-(1h-indol-3-ylmethyl)-2-oxo-2-(4-pyridylamino)ethyl]benzamide |
Molecular Mass |
611.108 g·mol−1 |
Heat of Formation |
-93.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.24 ± 1.08 D |
Volume |
711.02 Å 3 |
Surface Area |
585.44 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-0.55 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JYSKTRNZALHBHU-WJOKGBTCSA-N |
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Elements |
C
Cl
H
F
O
N
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