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

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Properties Simple | Detailed

Formula C16H18N2O5S
IUPAC Name (2s,4r,5r,6r)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 350.390 g·mol−1
Heat of Formation -645.6 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 397.9 Å 3
Surface Area 312.67 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey FCZNNHHXCFARDY-BWTYGTCLSA-N
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