| Formula |
C27H26N10S |
| IUPAC Name |
6-[4-amino-1-[[2-(4-methylpiperazin-1-yl)-3-quinolyl]methyl]pyrazolo[3,4-d]pyrimidin-1-ium-2-id-3-yl]-1,3-benzothiazol-2-amine |
| Molecular Mass |
522.627 g·mol−1 |
| Heat of Formation |
758.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.12 ± 1.08 D |
| Volume |
601.39 Å 3 |
| Surface Area |
479.45 Å 2 |
| HOMO Energy |
-8.41 ± 0.55 eV |
| LUMO Energy |
1.00 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
UNSGOTITAWKECZ-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
N
|
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