Formula |
C25H24Cl2FN6O+ |
IUPAC Name |
6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-yl-anilino)-8h-pyrido[2,3-d]pyrimidin-8-ium-7-one |
Molecular Mass |
514.402 g·mol−1 |
Heat of Formation |
-3.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.23 ± 1.08 D |
Volume |
569.11 Å 3 |
Surface Area |
472.42 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
1.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DHKFOIHIUYFSOF-UHFFFAOYSA-O |
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Links |
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Elements |
C
F
H
Cl
O
N
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