4-[3-(Trifluoromethyl)Benzyl]-2H-1,4-Benzothiazin-3(4H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H12F3NOS
IUPAC Name 4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one
Molecular Mass 323.333 g·mol−1
Heat of Formation -633.0 ± 16.7 kJ·mol−1
Dipole Moment 1.98 ± 1.08 D
Volume 350.06 Å 3
Surface Area 286.37 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(trifluoromethyl)benzyl]-1,4-benzothiazin-3-one
InChIKey ZUIJXKLTUFCDGO-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