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

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Properties Simple | Detailed

Formula C16H16ClN3O4
IUPAC Name (6r,7r)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 349.769 g·mol−1
Heat of Formation -470.0 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 386.59 Å 3
Surface Area 345.86 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey JAPHQRWPEGVNBT-IJLUTSLNSA-N
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Elements H C N O Cl