(2S,5R,6R)-N-[3-(Dimethylamino)Propyl]-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C21H30N4O3S |
| IUPAC Name | (2r,5s,6r)-n-[3-(dimethylamino)propyl]-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide |
| Molecular Mass | 418.553 g·mol−1 |
| Heat of Formation | -380.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.69 ± 1.08 D |
| Volume | 525.94 Å 3 |
| Surface Area | 425.95 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | 2.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VLBRNOPWGXMNBE-HLIPFELVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |