N-{[4-(Pentyloxy)-3-(Trifluoromethyl)Phenyl]Carbamothioyl}Nicotinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H20F3N3O2S
IUPAC Name n-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide
Molecular Mass 411.441 g·mol−1
Heat of Formation -790.3 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 461.54 Å 3
Surface Area 421.01 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]nicotinamide
  • n-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide
  • n-[[[4-pentoxy-3-(trifluoromethyl)phenyl]amino]-thioxomethyl]-3-pyridinecarboxamide
InChIKey WJSGOXONRXFGRY-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