Formula |
C30H28FN7O3 |
IUPAC Name |
4-[4-[[5-tert-butyl-2-(6-quinolyl)pyrazol-2-ium-1-id-3-yl]carbamoylamino]-3-fluoro-phenoxy]-n-methyl-pyridine-2-carboxamide |
Molecular Mass |
553.587 g·mol−1 |
Heat of Formation |
-82.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.74 ± 1.08 D |
Volume |
633.29 Å 3 |
Surface Area |
561.66 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
-1.25 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WVXNSAVVKYZVOE-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
F
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