Formula |
C30H25FN4O |
IUPAC Name |
5-[(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-ynyl-3-pyridyl)phenyl]isoindol-1-yl]-1-ethyl-3-methyl-pyridin-2-one |
Molecular Mass |
476.544 g·mol−1 |
Heat of Formation |
308.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.44 ± 1.08 D |
Volume |
565.68 Å 3 |
Surface Area |
486.56 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-0.90 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
TUGLMYZSOPKJOA-PMERELPUSA-N |
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Elements |
H
C
F
O
N
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