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

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Properties Simple | Detailed

Formula C16H17N3O5S
IUPAC Name (6s,7r)-7-[[(2s)-2-amino-2-phenyl-acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 363.388 g·mol−1
Heat of Formation -573.2 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 403.59 Å 3
Surface Area 352.85 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
InChIKey HUKRJWVLQPKROI-RWSFTLGLSA-N
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