Formula |
C23H25N3O4S2 |
IUPAC Name |
(1r,2r)-n-[4-(4-methoxyphenyl)-5h-thiazol-3-ium-5-id-2-yl]-1-(p-tolylsulfonyl)piperidine-2-carboxamide |
Molecular Mass |
471.592 g·mol−1 |
Heat of Formation |
-360.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.54 ± 1.08 D |
Volume |
532.5 Å 3 |
Surface Area |
452.51 Å 2 |
HOMO Energy |
-8.17 ± 0.55 eV |
LUMO Energy |
2.25 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OXQNLLVUVDAEHC-OAQYLSRUSA-N |
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Elements |
H
S
C
O
N
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