Relebactam

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Properties Simple | Detailed

Formula C12H20N4O6S
IUPAC Name [(2s,5r)-7-oxo-2-(4-piperidylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular Mass 348.375 g·mol−1
Heat of Formation -852.7 ± 16.7 kJ·mol−1
Dipole Moment 0.39 ± 1.08 D
Volume 374.53 Å 3
Surface Area 317.47 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey SMOBCLHAZXOKDQ-ZJUUUORDSA-N
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