(2R,5S,6S)-3,3-Dimethyl-7-Oxo-6-{[(2R)-2-{[(2-Oxo-1-Imidazolidinyl)Carbonyl]Amino}-2-Phenylacetyl]Amino}-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Formula C20H23N5O6S
IUPAC Name (2s,5r,6s)-3,3-dimethyl-7-oxo-6-[[(2r)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 461.492 g·mol−1
Heat of Formation -834.8 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 512.49 Å 3
Surface Area 436.83 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey JTWOMNBEOCYFNV-LMOYCYGVSA-N
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