Formula |
C24H25F3N6S |
IUPAC Name |
2-[[5-[3-(dimethylamino)propyl]-2-methyl-3-pyridyl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione |
Molecular Mass |
486.556 g·mol−1 |
Heat of Formation |
-270.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.06 ± 1.08 D |
Volume |
563.13 Å 3 |
Surface Area |
445.59 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
1.47 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CODBZFJPKJDNDT-UHFFFAOYSA-N |
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Elements |
H
S
N
C
F
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