Formula |
C19H20F3N5O3S2 |
IUPAC Name |
5-[(1r,3s,4r)-3-prop-1-ynyl-4-[4-(trifluoromethylsulfonimidoyl)phenyl]piperazin-1-yl]sulfonylpyridin-2-amine |
Molecular Mass |
487.519 g·mol−1 |
Heat of Formation |
-532.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.49 ± 1.08 D |
Volume |
521.92 Å 3 |
Surface Area |
417.68 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
2.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ULWPZVFGWXVNBJ-IWAYBZMOSA-N |
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Elements |
C
F
H
O
N
S
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