Computed Properties of C5H10O3. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: (S)-Methyl 3-hydroxybutanoate, is researched, Molecular C5H10O3, CAS is 53562-86-0, about CH-stretching vibrational circular dichroism of α-hydroxy acids and related molecules.
A conference; Vibrational CD (VCD) spectra of chiral α-hydroxy acids and related mols. have been investigated in the hydrogen stretching and mid-IR regions to probe factors influencing the VCD intensity of methine and hydroxyl stretching and bending motions. Ab initio calculations were carried out to identify low energy conformers and to calculate VCD intensity with the vibronic coupling VCD theory, utilizing DFT normal modes and geometry. Large methine stretching VCD intensity was correlated with the presence of an oxygen at the chiral center in conjunction with an O=C-C*-O dihedral angle near 0°. Vibrational transition CD plots for the methine stretch in deuterated Me lactate reveal angular and circulatory charge flow consistent with the pos. rotational strength for the S-enantiomer.
As far as I know, this compound(53562-86-0)Computed Properties of C5H10O3 can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.
Reference:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics