(6R,7R)-7-({[2-(Aminomethyl)Phenyl]Acetyl}Amino)-8-Oxo-3-[(Tetrazolo[1,5-B]Pyridazin-6-Ylsulfanyl)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H20N8O4S2 |
| IUPAC Name | (6r,7s)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(2,7,8-triaza-1-azonia-9-azanidabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-3-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass | 512.565 g·mol−1 |
| Heat of Formation | 133.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.05 ± 1.08 D |
| Volume | 553.41 Å 3 |
| Surface Area | 481.09 Å 2 |
| HOMO Energy | -9.37 ± 0.55 eV |
| LUMO Energy | -1.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TYUABEAJISXFLD-FXAWDEMLSA-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 |