(4S,5S,6R)-3-({1-[(1E)-Ethanimidoyl]-3-Pyrrolidinyl}Sulfanyl)-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Formula C16H23N3O4S
IUPAC Name (4s,5s,6r)-3-[(3r)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 353.437 g·mol−1
Heat of Formation -520.5 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 422.84 Å 3
Surface Area 327.74 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey NZOABRUICAKEBQ-YAVUCWPJSA-N
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