药用5—硝基—2—呋喃乙烯衍生物及其类似物的CNDO／2计算

CNDO/2 Caculation of the Structure of 5─Nitro─2─Furanethenoid Derivative and Its Analogue

通过对口服抗丝虫新药的部分分子的ＣＮＤＯ／２计算和归纳分析，发现有６项量子化学指标和杀虫效果有一定联系。初步确定药物分子的抗虫活性中心在乙烯基及其端位（２）号原子上，其药性主要表现为亲核作用。

By CNDO/2 calculation and analysis ofaseries of5-nitro-2-furanethenoidderivatives,the author found that there ware six indexes of quantum chemistry related tothe filaricidal ehect.It is initially determined that the main active center of tbmedicinalmolecule is at the ends of the vingl,and that its filaricidal effect is mainly a kind of nucle-ophilic reastion.