Tralomethrin Metabolite

Molecule SVG Image

Properties Simple | Detailed

Formula C22H19Br2NO3
IUPAC Name [(s)-cyano-(3-phenoxyphenyl)methyl] (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropanecarboxylate
Molecular Mass 505.199 g·mol−1
Heat of Formation -65.8 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 492.94 Å 3
Surface Area 375.75 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-3-(2,2-dibromoethenyl)-2,2-dimethyl-cyclopropane-1-carboxylate
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
  • [(s)-cyano-[3-(phenoxy)phenyl]methyl] (1r,3s)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropane-1-carboxylate
InChIKey OWZREIFADZCYQD-GGPKGHCWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N