7-({[4-(2-Amino-1-Carboxy-2-Oxoethylidene)-1,3-Dithietan-2-Yl]Carbonyl}Amino)-7-Methoxy-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C17H17N7O8S4 |
IUPAC Name | (6r,7s)-7-[[4-(2-amino-1-carboxy-2-oxo-ethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass | 575.619 g·mol−1 |
Heat of Formation | -670.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.61 ± 1.08 D |
Volume | 582.3 Å 3 |
Surface Area | 492.98 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | -1.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | SRZNHPXWXCNNDU-AWENMMLUSA-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 |