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

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Properties Simple | Detailed

Formula C18H17N3O7S
IUPAC Name (6r,7r)-3-(acetoxymethyl)-7-[[(2e)-2-hydroxyimino-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 419.408 g·mol−1
Heat of Formation -760.4 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 458.25 Å 3
Surface Area 390.0 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey KNKNTIJTHKMYNE-DQOSPCHPSA-N
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