3-{3-[(2-Ammonio-2-Oxoethyl)(Ethyl)Methylammonio]-1-Propen-1-Yl}-7-({(5-Ammonio-1,2,4-Thiadiazol-3-Yl)[(Fluoromethoxy)Imino]Acetyl}Amino)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C20H25FN8O6S2 |
| IUPAC Name | (6r,7r)-3-[(e)-3-[(r)-(2-amino-2-oxo-ethyl)-ethyl-methyl-ammonio]prop-1-enyl]-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Mass | 556.591 g·mol−1 |
| Heat of Formation | -440.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 15.49 ± 1.08 D |
| Volume | 606.26 Å 3 |
| Surface Area | 495.6 Å 2 |
| HOMO Energy | -8.10 ± 0.55 eV |
| LUMO Energy | 2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XAKKNLNAJBNLPC-HOGIVUBOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |