5-{3-[Benzoyl(Cyclohexyl)Amino]Phenyl}-4-Bromo-3-(Carboxymethoxy)-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C26H24BrNO6S
IUPAC Name 5-[3-[benzoyl(cyclohexyl)amino]phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
Molecular Mass 558.441 g·mol−1
Heat of Formation -812.0 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 577.18 Å 3
Surface Area 441.54 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.49 ± eV
Point Group Symmetry C1
InChIKey NXCMIBOFUBPJDM-UHFFFAOYSA-N
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Elements C H O N S Br