7-{[Amino(1-Cyclohexen-1-Yl)Acetyl]Amino}-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H21N3O4S
IUPAC Name (6r,7r)-7-[[(2s)-2-amino-2-(cyclohexen-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 351.421 g·mol−1
Heat of Formation -529.0 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 409.6 Å 3
Surface Area 328.37 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey BNLDYUJJDMUOPZ-FIXISWKDSA-N
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