(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-3-({(3S,5S)-5-[(Sulfamoylamino)Methyl]-3-Pyrrolidinyl}Sulfanyl)(2-~14~C)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Formula C15H24N4O6S2
IUPAC Name (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 422.497 g·mol−1
Heat of Formation -896.5 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 472.1 Å 3
Surface Area 386.6 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey AVAACINZEOAHHE-YZCBYFCHSA-N
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