RESEARCH OF STABILITY OF PHARMACEUTICALS OF GROUP NITROFURANUMS WITH METALS
In an approximation of HF/6-31+G* theoretical model operation of binding of ions of divalent metals (Cu, Zn, Mn) with Furazolidonum is carried out. Optimum structures of complexes of ions of the metals with Furazolidonum analogs (the simplified optimization model) including a pentilny ring with the atom of nitrogen, associated to it, and two atoms of oxygen are counted. Energy of the formed connections was described the size of the total energy of E. The accounting of the salvation amendment, counted by means of the continual PCM-C model. The scaling factor was not applied. On the basis of energies of formation of complexes a number of stability of complexes of Furazolidonum with metals is constructed: Cu ≈ Zn > Mn. The most favorable geometrical structure of a complex of Furazolidonum with cations of metals at accession is determined by nitro-group. Vibration spectrums of complexes are calculated and analyzed.