The main objective of the study is to analyze the spectral behaviour and antimicrobial activity of 3-(4 bromophenyl)-1- methoxy-1-methyl urea by experiment, theoretical spectroscopic, IR, Raman and UV-Vis techniques. The optimized geometrical parameters were reported on DFT/B3LYP/6-311++G (d, p) basis set of theory. Based on the potential distribution of energy, the detailed vibrational assignments of observed FT-IR and FT-Raman bands have been proposed. The distribution of vibrational modes was carried out by using normal coordinate analysis. Antimicrobial activity of BMM molecule was confirmed using molecular docking analysis. In vitro antimicrobial studies were carried out against the bacterial strains E. coli and Candida sp.

中文翻译：

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3-(4 溴苯基)-1-甲氧基-1-甲基脲的抗菌活性、分子对接、光谱、DFT 和振动分析

本研究的主要目的是通过实验、理论光谱、红外、拉曼和紫外-可见技术分析3-(4溴苯基)-1-甲氧基-1-甲基脲的光谱行为和抗菌活性。优化的几何参数在 DFT/B3LYP/6-311++G (d, p) 理论基础集上报告。基于能量的潜在分布，提出了观测到的 FT-IR 和 FT-Raman 波段的详细振动分配。采用正态坐标分析法进行振动模态分布。使用分子对接分析证实了 BMM 分子的抗菌活性。针对大肠杆菌和念珠菌菌株进行了体外抗菌研究。