(2S)-N-(4-Cyano-3-Iodophenyl)-3-(4-Cyanophenoxy)-2-Hydroxy-2-Methylpropanamide

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Properties Simple | Detailed

Formula C18H14IN3O3
IUPAC Name (2s)-n-(4-cyano-3-iodo-phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methyl-propanamide
Molecular Mass 447.227 g·mol−1
Heat of Formation -37.2 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 421.9 Å 3
Surface Area 383.12 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey RXSZCFAPSDTELY-SFHVURJKSA-N
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