Formula |
C25H19F2N3O3 |
IUPAC Name |
(4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoro-3-pyridyl)spiro[5h-oxazole-4,9'-xanthene]-2-amine |
Molecular Mass |
447.433 g·mol−1 |
Heat of Formation |
-374.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.07 ± 1.08 D |
Volume |
489.56 Å 3 |
Surface Area |
422.21 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
-1.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UBJVRJGPVXTXQB-VWLOTQADSA-N |
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Elements |
H
C
F
O
N
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