In an article, author is Arjunan, V, once mentioned the application of 58-86-6, Category: indole-building-block, Name is Xylose, molecular formula is C5H10O5, molecular weight is 150.13, MDL number is MFCD00151475, category is indole-building-block. Now introduce a scientific discovery about this category.
The structure, electronic properties, vibrational fundamental modes and thermodynamic properties of 3-acetylindole (3AI) and indole-3-acetamide (3IAM) compounds are investigated. The most stable geometry, structural parameters and vibrational wavenumbers are determined by using B3LYP method with 6-311++G** and cc-pVTZ basis sets. FT-IR and FT-Raman spectrum of the compounds are recorded in the range of 4000-400 and 4000-100 cm(-1), respectively. The molecular electrostatic potential and total electron density of the compounds have been analysed. The chemical reactivity and site selectivity of the molecules have been investigated by utilising global and local reactivity descriptors. (C) 2020 Elsevier B.V. All rights reserved.
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Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles