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Gaussian Job Archive for C15H15NO2S
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C15H15NO2S/c1-10(17)16-8-6-14-12(7-9-19-14)15(16)11-4-2-3-5-13(11)18/h2-5,7,9,15,18H,6,8H2,1H3/t15-/m1/s1nmrfreq(vcd)wB97XD/6-311G(d,p)optfrrwb97xd/6-311G(d,p)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC15H15NO2SC1CN([C@@H](c2c1scc2)c1ccccc1O)C(=O)CInChIKey=BJPREFMDACFWJW-OAHLLOKOSA-Nscrf=(cpcm,solvent=chloroform)Organic Chemistry
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