4-{2-Amino-4-Methyl-3-[2-(Methylamino)-1,3-Benzothiazol-6-Yl]Benzoyl}-1-Methyl-2,5-Diphenyl-1,2-Dihydro-3H-Pyrazol-3-One
Properties
| Property | Value |
|---|---|
| Formula | C32H27N5O2S |
| IUPAC Name | 4-[2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl]-1-methyl-2,5-diphenyl-pyrazole-1,2-diium-3-one |
| Molecular Mass | 545.654 g·mol−1 |
| Heat of Formation | 320.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.91 ± 1.08 D |
| Volume | 643.75 Å 3 |
| Surface Area | 520.72 Å 2 |
| HOMO Energy | -8.28 ± 0.55 eV |
| LUMO Energy | -0.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XUIZYNXJUPSUNY-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |