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

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Formula C21H23BrN2O6S
IUPAC Name 4-bromo-3-(carboxymethoxy)-5-[3-[cyclohexyl(methylcarbamoyl)amino]phenyl]thiophene-2-carboxylic acid
Molecular Mass 511.386 g·mol−1
Heat of Formation -905.7 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 518.47 Å 3
Surface Area 442.32 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
InChIKey PXYOQUGPJYIRGZ-UHFFFAOYSA-N
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Elements C H O N S Br