| Formula |
C29H28N10OS |
| IUPAC Name |
n-[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-yl]acetamide |
| Molecular Mass |
564.664 g·mol−1 |
| Heat of Formation |
581.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.24 ± 1.08 D |
| Volume |
646.97 Å 3 |
| Surface Area |
537.98 Å 2 |
| HOMO Energy |
-8.63 ± 0.55 eV |
| LUMO Energy |
0.85 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PROYLAOFEKHQGS-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
O
N
|
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