(2E)-3-(3-{2-[2-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Ethoxy]-4-Fluorophenoxy}-5-Fluorophenyl)Acrylonitrile

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Formula C21H15F2N3O4
IUPAC Name (e)-3-[3-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluoro-phenoxy]-5-fluoro-phenyl]prop-2-enenitrile
Molecular Mass 411.358 g·mol−1
Heat of Formation -626.5 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 456.92 Å 3
Surface Area 380.14 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
InChIKey USRHSVZSPKDGMT-OWOJBTEDSA-P
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