Geometry & MOs

Info

ID:	57191
PubChem CID:	22395459
Reduced:	CaSO3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	346.185457
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	4.54
IP(EA), eV:	-4.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

calcium;octyl octane-1-sulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.[Ca+2]

DOS

IR

Vibrations