Healthcare careers for chemists are once again largely based in laboratories, although increasingly there is opportunity to work at the point of care, helping with patient investigation.613-33-2, Name is 4,4′-Dimethyldiphenyl, molecular formula is C14H14, belongs to isothiazole compound. In a document, author is Emamian, Saeed Reza, introduce the new discover, HPLC of Formula: https://www.ambeed.com/products/613-33-2.html.
DFT methods have been used to study the hetero Diels-Alder reaction of thiazole and isothiazole with thiophen-2,5-dione. The thermodynamic and kinetic parameters were calculated. The relative stabilities of the transition structures corresponding to the endo/exo stereoisomers have been rationalized on the basis of the secondary molecular orbital interactions. NBO analysis was carried out to calculate the synchronicity index. It was shown that all reactions are synchronous. A HOMO-LUMO energy gap shows both reactions are normal electron demand.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com