Formula |
C25H19FN4O3 |
IUPAC Name |
(4s)-7'-(2-fluoro-3-pyridyl)-3'-[2-(3-methyloxetan-3-yl)ethynyl]spiro[5h-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine |
Molecular Mass |
442.442 g·mol−1 |
Heat of Formation |
105.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.88 ± 1.08 D |
Volume |
494.59 Å 3 |
Surface Area |
436.69 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
-1.19 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GKKFBOARESVMBW-VWLOTQADSA-N |
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Elements |
H
C
F
O
N
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