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Gaussian Job Archive for C44H70N4O7Zn2 - 104128
JobID 104128
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C34H56N4O2.C8H13O3.C2H4O2.2Zn/c1-31(2,3)27-11-23-15-35-19-33(7,8)21-37-17-25-13-28(32(4,5)6)14-26(30(25)40)18-38-22-34(9,10)20-36-16-24(12-27)29(23)39;1-6(9)11-8-5-3-2-4-7(8)10;1-2(3)4;;/h11-14,35-40H,15-22H2,1-10H3;7-8H,2-5H2,1H3;1H3,(H,3,4);;/qscrf=(cpcm,solvent=dichloromethane)optFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC44H70N4O7Zn2[Zn]1([N@H]2Cc3c4O[Zn]56(Oc7c(C[N@@H]1CC(C2)(C)C)cc(cc7C[N@H]5CC(C[N@H]6Cc4cc(c3)C(C)(C)C)(C)C)C(C)(C)C)OC(=O)C)O[C@H]1[C@H](OC(=O)C)CCCC1InChIKey=XVMXXJCKDJHWFU-JUPVMDBGSA-KtemperOrganic Chemistry
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