(2S,5R,6R)-6-[(2,2-Diphenyl-2-Phenylsulfanyl-Acetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C28H26N2O4S2
IUPAC Name (2s,5r,6r)-6-[(2,2-diphenyl-2-phenylsulfanyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 518.647 g·mol−1
Heat of Formation -302.2 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 597.88 Å 3
Surface Area 436.67 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey GMXDLSPHQWEENT-AOHZBQACSA-N
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