A Green Approach to the Production of Hybrid Diindolylmethane-Phenylboronic Acids via a 3MCR: Promising Antineoplasic Molecules

Figure 4

Optimized geometries (electronic, enthalpy, and Gibbs free energy, described in Hartrees and kcal/mol) for the three lowest energy conformers: 5-ct (ortho), 6-ct (meta), and 7 -ct (para). MESPs of 5-ct, 6-ct, and 7-ct showing the minima (V _min: negative) and maxima (V _max: positive) of electron densities, in kcal/mol. All calculations were obtained by DFT calculations at the B3 LYP/6-311++G** level.