N-[(2S)-5-{[4-(Hydroxymethyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Methyl}-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C18H22F3N3O3S
IUPAC Name n-[(2s)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-ium-3-ylium-1-yl]methyl]indan-2-yl]propane-2-sulfonamide
Molecular Mass 417.446 g·mol−1
Heat of Formation -983.5 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 466.45 Å 3
Surface Area 405.86 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey QMPOXUWXLXEAHD-INIZCTEOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S