(1R)-1-[(Ethoxycarbonyl)Oxy]Ethyl (2S,5R,6R)-6-{[(2R)-2-Amino-2-Phenylacetyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate

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Formula C21H27N3O7S
IUPAC Name [(1r)-1-ethoxycarbonyloxyethyl] (2s,5r,6r)-6-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 465.520 g·mol−1
Heat of Formation -1063.5 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 535.29 Å 3
Surface Area 407.56 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey PFOLLRNADZZWEX-OIKQGAJOSA-N
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