Geometry & MOs

Info

ID:	10704
PubChem CID:	106961
Reduced:	SO7C22H44 (1)
Stoich.:	AB7C22D44 (1)
Weight, g/mol:	452.280775
ΔH_f, kcal/mol:	-384.99
Dipole, Da:	5.56
IP(EA), eV:	-10.04(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxyethoxy)-10-hydroxy-1-oxooctadecane-9-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(C(CCCCCCCC(=O)OCCOCC)S(=O)(=O)O)O

DOS

IR

Vibrations