(5R,10S)-5-(Carboxymethylcarbamoyl)-7-Oxo-3-Thia-1,6-Diazabicyclo[4.4.1]Undecane-10-Carboxylic Acid

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Formula C12H17N3O6S
IUPAC Name (1s,5r,10s)-5-(carboxymethylcarbamoyl)-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid
Molecular Mass 331.345 g·mol−1
Heat of Formation -1039.0 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 355.5 Å 3
Surface Area 301.43 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
InChIKey FNEMNSFAPZMNDP-YUMQZZPRSA-N
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