5-{[(3S)-3-(1-Propyn-1-Yl)-4-{4-[S-(Trifluoromethyl)Sulfonimidoyl]Phenyl}-1-Piperazinyl]Sulfonyl}-2-Pyridinamine

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Properties Simple | Detailed

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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