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Gaussian Job Archive for C50H80N4O9Zn2 - 104131
JobID: 104131
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C34H56N4O2.C14H23O5.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;1-11(15)18-12-7-3-4-8-13(12)19-14(16)9-5-2-6-10-17-14;1-2(3)4;;/h11-14,35-40H,15-22H2,1-10H3;1scrf=(cpcm,solvent=dichloromethane)optFreqRwB97XD/6-31G(d)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC50H80N4O9Zn2[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)O[C@@]1(O[C@H]2[C@H](OC(=O)C)CCCC2)OCCCCC1)OC(=O)CInChIKey=QEMYKLCBZVIRHL-YBTCLFEVSA-KtemperOrganic Chemistry
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