Geometry & MOs

Info

ID:	11235
PubChem CID:	112198
Reduced:	NaSO5C18H29 (1)
Stoich.:	ABC5D18E29 (1)
Weight, g/mol:	380.163339
ΔH_f, kcal/mol:	-269.27
Dipole, Da:	5.91
IP(EA), eV:	-8.57(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[2-[2-(2,4,4-trimethylpentyl)phenoxy]ethoxy]ethanesulfonate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1OCCOCCS(=O)(=O)[O-])CC(C)(C)C.[Na+]

DOS

IR

Vibrations