N-({3-[(5S)-1-(4-Fluorobenzyl)-4-Hydroxy-5-(2-Methyl-2-Propanyl)-2-Oxo-2,5-Dihydro-1H-Pyrrol-3-Yl]-1,1-Dioxido-1,2-Benzothiazol-7-Yl}Methyl)Methanesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26FN3O6S2
IUPAC Name n-[[3-[(2s)-2-tert-butyl-1-[(4-fluorophenyl)methyl]-3-hydroxy-5-oxo-2h-pyrrol-4-yl]-1,1-dioxo-1,2-benzothiazol-7-yl]methyl]methanesulfonamide
Molecular Mass 535.608 g·mol−1
Heat of Formation -898.2 ± 16.7 kJ·mol−1
Dipole Moment 8.78 ± 1.08 D
Volume 590.25 Å 3
Surface Area 470.19 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey ZMOVBEOGACXUBZ-JOCHJYFZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S