Geometry & MOs

Info

ID:	4391
PubChem CID:	11339
Reduced:	SO7C20H38 (1)
Stoich.:	AB7C20D38 (1)
Weight, g/mol:	422.233825
ΔH_f, kcal/mol:	-367.35
Dipole, Da:	2.17
IP(EA), eV:	-10.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O

DOS

IR

Vibrations