(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

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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
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Elements C F H Cl O N S