Conformational study of (E)-4-{1-[2-(carbamothioyl) hydrazin phenyl-4-methylbenzoate (C17H17N3O2S

Simple item page
dc.contributor.authorHONFODJI, Wilfried
dc.contributor.authorKanhounnon, G. Wilfried
dc.contributor.authorKUEVI, HORTENSIA VICENTIA
dc.contributor.authorATOHOUN, YACOLÈ GUY SYLVAIN
dc.date.accessioned2026-06-02T16:06:57Z
dc.date.available2026-06-02T16:06:57Z
dc.date.issued2018
dc.description.abstractThe (E)-4-{1-[2-(carbamothioyl) hydrazine formula. As several thiosemicarbazones, it has some pharmacological properties. By HF and DFT/B3LYP methods as implemented in the gaussian 09, in the 6-31G, 6 molecule was performed. Among the molecule conformers modelled, the calculated values of geometrical parameters of two are very close to crystallographic data. Besides, the trypanocide predicting model established by DFT/B3LYP/6
dc.identifier.otherBECDB-10444
dc.identifier.urihttps://dspace.uac.bj/handle/123456789/9302
dc.language.isofr
dc.relation.ispartofResearch Journal of Chemical Sciences
dc.subjectHartree Fock (HF)
dc.subjectdensity functional theory (DFT)
dc.subjectthiosemicarbazone
dc.subjectconformers
dc.subjecttrypanocide.
dc.titleConformational study of (E)-4-{1-[2-(carbamothioyl) hydrazin phenyl-4-methylbenzoate (C17H17N3O2S
dc.typeArticle

Files

Original bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
a4e2eb3503114579cf81a1d3f593588f.pdf
Size:
668.95 KB
Format:
Adobe Portable Document Format
Download

Collections

Articles