(2R,5R,6R)-6-({[3-(2-Chloro-6-Fluorophenyl)-5-(Hydroxymethyl)-1,2-Oxazol-4-Yl]Carbonyl}Amino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C19H17ClFN3O6S |
IUPAC Name | (2r,5s,6r)-6-[[3-(2-chloro-6-fluoro-phenyl)-5-(hydroxymethyl)isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Molecular Mass | 469.871 g·mol−1 |
Heat of Formation | -863.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.07 ± 1.08 D |
Volume | 497.98 Å 3 |
Surface Area | 385.15 Å 2 |
HOMO Energy | -9.19 ± 0.55 eV |
LUMO Energy | -1.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZUBWLMQDPXVIGD-CPUCHLNUSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N S |