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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Links |
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Elements |
H
S
C
O
N
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