(6R,7R)-3-(Acetoxymethyl)-7-{[Acetoxy(Phenyl)Acetyl]Amino}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H20N2O8S
IUPAC Name (6r,7r)-3-(acetoxymethyl)-7-[[(2r)-2-acetoxy-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 448.446 g·mol−1
Heat of Formation -1154.2 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 494.58 Å 3
Surface Area 417.3 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey XRVPSMBZQKYMGA-IDHHARJASA-N
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