Abstract

K. Laxmi

DOI : http://dx.doi.org/10.13005/ojc/380109

Marvin Sketch is the fast and accurate software used for drawing of chemical compounds and reactions. This software also provide guidance and is integrated with calculators for obtaining the suitable results of properties. Marvin sketch 20.8 software is well equipped with advanced chemical viewer for studying the chemical structures both single and multiple 2D/3D, as well as chemical reactions and its related data. It can display all the details, like molecule name, generated IUPAC name and SMILES strings of molecules. With the help of Marvin Sketch 20.8 software the compound N'-[(1E)-1-phenylethylidene]-1,3-benzothiazole-2-carbohydrazide(PEBTH) is characterized and all its properties were determined.

Conformers; Charge; Geometrical Descriptors; Huckel analysis; Isoelectric point; Log P; Mass spectrum; Orbital electronegativity; Polarisability; pKa; PEBTH; Refractivity; Structure display models

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