(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[(2R)-2-[(4-Oxo-1H-1,5-Naphthyridin-5-Ium-8A-Ide-3-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid

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Formula C25H24N5O6S
IUPAC Name (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[[(2r)-2-[(4-oxo-1h-1,5-naphthyridin-5-ium-8a-ide-3-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 522.553 g·mol−1
Heat of Formation -613.7 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 579.99 Å 3
Surface Area 468.33 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey URASSHMBJVOWJG-HZXXVJTQSA-O
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