(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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |