Geometry & MOs

Info

ID:	11239
PubChem CID:	112308
Reduced:	S2O7C32H50 (1)
Stoich.:	A2B7C32D50 (1)
Weight, g/mol:	610.299796
ΔH_f, kcal/mol:	-335.91
Dipole, Da:	7.76
IP(EA), eV:	-9.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-[10-(4-sulfophenyl)decoxy]decyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCCCCCCCCOCCCCCCCCCCC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations