Geometry & MOs

Info

ID:	376536
PubChem CID:	134222554
Reduced:	SO7C12H18 (1)
Stoich.:	AB7C12D18 (1)
Weight, g/mol:	474.086569
ΔH_f, kcal/mol:	-321.24
Dipole, Da:	7.69
IP(EA), eV:	-11.05(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-formyloxy-3-sulfocyclohexyl)oxyethoxy]-2-sulfocyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1OC=O)CC(CC2S(=O)(=O)O)C(=O)O

DOS

IR

Vibrations