Geometry & MOs

Info

ID:	53490
PubChem CID:	14716356
Reduced:	NaSO6C20H33 (1)
Stoich.:	ABC6D20E33 (1)
Weight, g/mol:	402.20761
ΔH_f, kcal/mol:	-339.39
Dipole, Da:	8.37
IP(EA), eV:	-9.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(4-octylphenyl)ethoxy]ethoxy]ethyl hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)CCOCCOCCOS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations