Sultamicillin Base

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Formula C25H30N4O9S2
IUPAC Name [(2s,5r)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2s,5r,6r)-6-[[(2s)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 594.657 g·mol−1
Heat of Formation -1214.2 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 662.52 Å 3
Surface Area 492.13 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey OPYGFNJSCUDTBT-BIFWYXARSA-N
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