| Formula |
C29H29ClN7OS+ |
| IUPAC Name |
6-(2-chloro-4-thiazol-5-yl-phenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8h-pyrido[2,3-d]pyrimidin-8-ium-7-one |
| Molecular Mass |
559.105 g·mol−1 |
| Heat of Formation |
373.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.00 ± 1.08 D |
| Volume |
636.36 Å 3 |
| Surface Area |
547.33 Å 2 |
| HOMO Energy |
-8.33 ± 0.55 eV |
| LUMO Energy |
-1.40 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DHUJCQOUWQMVCG-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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