1/1

3 files

Gaussian Job Archive for C11H18Cl2Na2O5S

dataset

posted on 2012-07-19, 16:45 authored by M J HarveyM J Harvey

Gaussian Job Archive

History

Usage metrics

Categories

Organic chemistry not elsewhere classified

Keywords

InChI=1S/C7H7S.C4H4Cl2O.2Na.4H2O.H/c1-6-2-4-7(8)5-3-6;1-3(7)2-4(5)6;;;;;;;/h2-5H,1H3;2H,1H3;;;4*1H2;/q;;;+1;;;;;/p-1 InChIKey=OLUAOSCICJOXRD-UHFFFAOYSA-M c1(ccc(cc1)[S])C.C(=CC(=O)C)(Cl)Cl.O[Na].O.[Na].O.O C11H18Cl2Na2O5S rb3lyp/6-31+g(d,p)Freq #scrf=(cpcm,solvent=ethanol)integral=grid=Organic Chemistry

Licence

Exports

RefWorks

BibTeX

Ref. manager

Endnote

DataCite

NLM

DC