The quantum mechanical descriptors such as the localization of frontier molecular orbital’s, EHOMO, ELUMO, energy gap (ΔE) and dipole moment (μ), were used to substantiate the impressive formation of non-toxic chemical film comprises of Clarithromycin (CMN) drug on electrochemically oxidized Aluminum and the corrosion resistance of the metal surfaces were found to be improved. The performance of the corrosion resistant barrier films was evaluated through potentiodynamic polarization and A.C impedance analysis. © 2015 University of Manchester and the authors.