6-[4-Amino-1-[[2-(4-Methylpiperazin-1-Yl)Quinolin-1-Ium-4A-Id-3-Yl]Methyl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl]-1,3-Benzothiazol-3-Ium-6-Id-2-Amine
Properties
| Property | Value |
|---|---|
| Formula | C27H26N10S |
| IUPAC Name | 6-[4-amino-1-[[2-(4-methylpiperazin-1-yl)quinolin-1-ium-4a-id-3-yl]methyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-1,3-benzothiazol-3-ium-6-id-2-amine |
| Molecular Mass | 522.627 g·mol−1 |
| Heat of Formation | 757.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.14 ± 1.08 D |
| Volume | 602.72 Å 3 |
| Surface Area | 474.4 Å 2 |
| HOMO Energy | -8.42 ± 0.55 eV |
| LUMO Energy | -0.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MHSGASSQKTZZSE-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S N |