(2S,5R,6R)-6-[[(2R)-2-Azido-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H18N5O4S
IUPAC Name (2s,5r,6r)-6-[[(2r)-2-azido-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 376.410 g·mol−1
Heat of Formation -189.1 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 420.93 Å 3
Surface Area 333.4 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey VTUPIJAUHQEPTK-NJBDSQKTSA-N
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