Formula |
C17H13ClN2O3S |
IUPAC Name |
2-[(1s,2r)-1-(4-chlorophenyl)-1-hydroxy-2h-thiazolo[3,2-a]benzimidazol-2-yl]acetic acid |
Molecular Mass |
360.815 g·mol−1 |
Heat of Formation |
-258.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.90 ± 1.08 D |
Volume |
390.25 Å 3 |
Surface Area |
318.87 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
-1.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JMBHHZBJVMEEAP-PBHICJAKSA-N |
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Elements |
C
Cl
H
O
N
S
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