(3R,6R,9Ar)-2,2-Dimethyl-6-[(N-Methyl-L-Alanyl)Amino]-N-(3-Methyl-1-Phenyl-1H-Pyrazol-5-Yl)-5-Oxo-2,3,5,6,9,9A-Hexahydro[1,3]Thiazolo[3,2-A]Azepine-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C25H32N6O3S |
| IUPAC Name | (3r,6r,9ar)-2,2-dimethyl-6-[[(2s)-2-(methylamino)propanoyl]amino]-n-(5-methyl-2-phenyl-4h-pyrazol-2-ium-4-id-3-yl)-5-oxo-3,6,9,9a-tetrahydrothiazolo[3,2-a]azepine-3-carboxamide |
| Molecular Mass | 496.625 g·mol−1 |
| Heat of Formation | -215.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.07 ± 1.08 D |
| Volume | 589.02 Å 3 |
| Surface Area | 468.75 Å 2 |
| HOMO Energy | -8.63 ± 0.55 eV |
| LUMO Energy | 2.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WIYCWFZPNIUIGJ-RCVZYCBYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |