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Quantum Chemistry Study of Anti-Cancer Drug Thioproline and Its Derivates

Lü Chongxian Beijing Institute of Chemical Technology Zhao Changhui, Wang Qingwen, Yuan Lübing Dalian Institute of Technology  
This paper deals computation of quantum chemistry of thioproline and its 2-substitution derivates. The net electronic charge,mulliken bond order,dipole moment,molecular ortrtal and energy level are obtained.Based on these data,the anti-cancer mechanism of thioproline and its 2-substitution derivate has been preliminarly probed.
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