Geometry & MOs

Info

ID:	337795
PubChem CID:	127258418
Reduced:	SO2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	416.184469
ΔH_f, kcal/mol:	-204.15
Dipole, Da:	3.14
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-(4-ethoxy-4-oxobutanoyl)oxydodecane-2-sulfonate

Drug info:

PubChemData

Smile

CCC[C@@H]([C@@H](COC(=O)CCC(=O)O)S)S

DOS

IR

Vibrations