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Gaussian Job Archive for C52H74N4O10Zn2 - 104293

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posted on 2015-11-17, 16:02 authored by Charles RomainCharles Romain

JobID: 104293

Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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    InChI=1S/C34H56N4O2.C8H4O3.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;9-7-5-3-1-2-4-6(5)8(10)11-7;1-6(9)11-8-5-3-2-4-7(8)10;1-2(3)4;;/h11-14,35-40H,15-22H2,1-scrf=(cpcm,solvent=dichloromethane)optFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC52H74N4O10Zn2[Zn@]12([N@H]3Cc4c5O[Zn@]6([N@@H](Cc7c(c(C[N@@H]1CC(C3)(C)C)cc(c7)C(C)(C)C)O2)CC(C[N@H]6Cc5cc(c4)C(C)(C)C)(C)C)OC(=O)C)O[C@H]1[C@H](OC(=O)C)CCCC1.c1cccc2c1C(=O)OC2=OInChIKey=KOZXNTVQIKSIJO-YGAZEPLSSA-KtemperOrganic Chemistry

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