3-(Acetoxymethyl)-7-{[(2E)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid 5-Oxide
Properties
| Property | Value |
|---|---|
| Formula | C16H17N5O8S2 |
| IUPAC Name | (5r,6r,7r)-3-(acetoxymethyl)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass | 471.465 g·mol−1 |
| Heat of Formation | -819.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.84 ± 1.08 D |
| Volume | 489.32 Å 3 |
| Surface Area | 422.08 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MMQXRUYUBYWTDP-ICXGKRFYSA-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 |