Dimethyl 5,5'-Disulfanediylbis[2-(Difluoromethyl)-4-Isobutyl-6-(Trifluoromethyl)Nicotinate]

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Properties Simple | Detailed

Formula C26H26F10N2O4S2
IUPAC Name methyl 2-(difluoromethyl)-5-[[6-(difluoromethyl)-4-isobutyl-5-methoxycarbonyl-2-(trifluoromethyl)-3-pyridyl]disulfanyl]-4-isobutyl-6-(trifluoromethyl)pyridine-3-carboxylate
Molecular Mass 684.610 g·mol−1
Heat of Formation -2733.7 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 710.36 Å 3
Surface Area 476.17 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -2.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(difluoromethyl)-5-[[6-(difluoromethyl)-4-isobutyl-5-methoxycarbonyl-2-(trifluoromethyl)-3-pyridyl]disulfanyl]-4-isobutyl-6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester
  • 5-[[5-carbomethoxy-6-(difluoromethyl)-4-isobutyl-2-(trifluoromethyl)-3-pyridyl]disulfanyl]-2-(difluoromethyl)-4-isobutyl-6-(trifluoromethyl)nicotinic acid methyl ester
  • methyl 2-(difluoromethyl)-5-[6-(difluoromethyl)-5-methoxycarbonyl-4-(2-methylpropyl)-2-(trifluoromethyl)pyridin-3-yl]disulfanyl-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate
  • sc-71952
InChIKey FMJLMOHHTAABLB-UHFFFAOYSA-N
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