Kolaskar, A. S. published the artcileNonplanar peptide unit. III. Quantum chemical calculations for related compounds and experimental x-ray diffraction data, Product Details of C2H3F2NO, the main research area is non planar distortion amide; MO peptide distortion; x ray peptide; conformation peptide.
The nonplanar distortions of the amide group in HCONH2, MeCONH2, MeCONHMe, and MeCONHEt were examined using CNDO/2 and INDO (CNDO = complete neglect of differential overlap, INDO = intermediate neglect of differential overlap) methods. The predictions from these methods are compared with the results obtained from x-ray and neutron diffraction studies on crystals of small open peptides, cyclic peptides, and amides. It is shown that the INDO results are in good agreement with observation, and that the dihedral angles θN and Δω are correlated by the relation ON = -2Δω, while θc is small and uncorrelated with Δω.
Biopolymers published new progress about Molecular orbital. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Product Details of C2H3F2NO.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics