Geometry & MOs

Info

ID:	337796
PubChem CID:	127258419
Reduced:	NaSO7C18H33 (1)
Stoich.:	ABC7D18E33 (1)
Weight, g/mol:	394.202525
ΔH_f, kcal/mol:	-316.41
Dipole, Da:	32.55
IP(EA), eV:	-8.28(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxy-4-oxobutanoyl)oxydodecane-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(COC(=O)CCC(=O)OCC)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations