5-Isopropyl 3-Methyl 4-[3-Chloro-6-Fluoro-2-(Trifluoromethyl)Phenyl]-2-(Fluoromethyl)-6-Methyl-1,4-Dihydro-3,5-Pyridinedicarboxylate

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Properties Simple | Detailed

Formula C20H19ClF5NO4
IUPAC Name o5-isopropyl o3-methyl (4r)-4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Mass 467.814 g·mol−1
Heat of Formation -1682.2 ± 16.7 kJ·mol−1
Dipole Moment 7.05 ± 1.08 D
Volume 479.58 Å 3
Surface Area 382.17 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey OBWJAVIHPMZUHG-INIZCTEOSA-N
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Elements C F H Cl O N