Formula |
C20H14ClFN4O3S2 |
IUPAC Name |
n-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridyl]-1,3-benzothiazol-2-yl]acetamide |
Molecular Mass |
476.932 g·mol−1 |
Heat of Formation |
-294.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.44 ± 1.08 D |
Volume |
498.35 Å 3 |
Surface Area |
414.56 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
1.78 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YGBMCLDVRUGXOV-UHFFFAOYSA-N |
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Links |
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Elements |
C
F
H
Cl
O
N
S
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