3-{[4-(~76~Br)Bromophenyl]Sulfonyl}-N-[4-Cyano-3-(Trifluoromethyl)Phenyl]-2-Hydroxy-2-Methylpropanamide

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Formula C18H14BrF3N2O4S
IUPAC Name (2s)-3-(4-bromophenyl)sulfonyl-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide
Molecular Mass 487.300 g·mol−1
Heat of Formation -1061.7 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 464.69 Å 3
Surface Area 406.29 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey RBRDRXOKFCEFBW-TXIUBVCZSA-N
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Elements C F H O N S Br