(1S)-1-(5-{[1-(2,6-Difluorobenzyl)-1H-Pyrazol-3-Yl]Amino}-1,3,4-Thiadiazol-2-Yl)-1-(4-Methyl-1,3-Thiazol-2-Yl)Ethanol

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Properties Simple | Detailed

Formula C18H16F2N6OS2
IUPAC Name (1s)-1-[5-[[2-[(2,6-difluorophenyl)methyl]-3h-pyrazol-2-ium-3-ylium-5-yl]amino]-1,3,4-thiadiazol-2-yl]-1-(4-methylthiazol-2-yl)ethanol
Molecular Mass 434.486 g·mol−1
Heat of Formation 90.4 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 465.44 Å 3
Surface Area 411.39 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
InChIKey UXRSVTXAGGLLHU-SFHVURJKSA-N
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