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中文摘要：
以L-半胱氨酸为原料，合成了N，N-二苯甲酰．半胱氨酸甲酯，通过元素分析、FFIR、UV-vis、^1H-NMR、^13C-NMR和MS对标题化合物进行表征并确定其结构．运用Gaussian 03量化程序包，采用B3LYP密度泛函（DFF）的方法，在6-31G（d）水平上对分子的几何构型进行了优化，在优化的基础上用含时密度泛函（TDDFF）方法计算了化合物的电子光谱，计算值与实验值基本吻合．
英文摘要：
N, N-bis-（benzoyl）-methyl cysteine was synthesized and characterized by dement analyses, FrIR, UV-Vis, ^1H-NMR, ^13 C-NMR and MS. Theoretical calculations were performed. The electronic spectrum of C18 H17 NO4 S was studied by using Time-Dependent Density Functional Theory （TDDFT） method on the basis of the optimized geometrical structure with B3LYP method. The obtained results are consistent with the experimental data.
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