Formula |
C24H25ClFN5O3 |
IUPAC Name |
(e)-n-[4-(3-chloro-4-fluoroanilino)-7-[(3s)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide |
Molecular Mass |
485.938 g·mol−1 |
Heat of Formation |
-340.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.22 ± 1.08 D |
Volume |
550.4 Å 3 |
Surface Area |
494.01 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
1.96 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ULXXDDBFHOBEHA-CWDCEQMOSA-N |
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Elements |
C
F
H
Cl
O
N
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