Formula |
C30H27FN4O5 |
IUPAC Name |
n-[3-fluoro-4-[(7-methoxy-4-quinolyl)oxy]phenyl]-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-pyrazole-1,2-diium-4-carboxamide |
Molecular Mass |
542.558 g·mol−1 |
Heat of Formation |
-510.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.45 ± 1.08 D |
Volume |
612.97 Å 3 |
Surface Area |
527.26 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-1.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OHLUERTUZNIQEE-GOSISDBHSA-N |
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Elements |
H
C
F
O
N
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