AM1 study of the conformational equilibrium and infrared spectrum for 1,2,4- and 1,3,5-substituted benzenes
✍ Scribed by Hélio F. Dos Santos; Wagner B. De Almeida; J. Taylor-Gomes; Brian L. Booth
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 988 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0924-2031
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## Abstract 5‐Substituted (amine, alkyl, aryl, heterocyclic) 4‐(1,3,4‐thiadiazol‐2‐yl)benzene‐1,3‐ diols were synthesized, and their antifungal properties were examined. The compounds were obtained by the one‐pot reaction of sulfinylbis((2,4‐dihydroxyphenyl)methanethione) with hydrazides or thiosem
An investigation of the molecular dynamics of substituted 1,3,4,5-tetrahydro-2H-l,Ibenzodiazepin-2-0ne derivatives revealed that these molecules adopt cycloheptadiene-like boat conformations. There is an equilibrium between the quasi-axial and the quasiequatorial conformer in which the quasi-axial c