2-({5-[(2,4-Dimethylphenyl)Sulfonyl]-4-Oxo-1,4-Dihydro-2-Pyrimidinyl}Sulfanyl)-N-[2-(Trifluoromethyl)Phenyl]Acetamide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18F3N3O4S2+
IUPAC Name 2-[5-(2,4-dimethylphenyl)sulfonyl-6-oxo-pyrimidin-2-yl]sulfanyl-n-[2-(trifluoromethyl)phenyl]acetamide
Molecular Mass 497.511 g·mol−1
Heat of Formation -1078.2 ± 16.7 kJ·mol−1
Dipole Moment 6.94 ± 1.08 D
Volume 517.64 Å 3
Surface Area 450.65 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey XHKKCXMZBGDTIT-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S