(2S,5R,6R)-6-{[{[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)Carbonyl]Amino}(Phenyl)Acetyl]Amino}-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H23N5O7S |
| IUPAC Name | (2s,5r,6r)-6-[[(2r)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Mass | 489.502 g·mol−1 |
| Heat of Formation | -926.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.83 ± 1.08 D |
| Volume | 546.17 Å 3 |
| Surface Area | 448.35 Å 2 |
| HOMO Energy | -9.17 ± 0.55 eV |
| LUMO Energy | -0.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RMAPZRULYHSIOO-QGDIXAPHSA-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 |