Geometry & MOs

Info

ID:	227133
PubChem CID:	87560311
Reduced:	MgS2O6C38H62 (1)
Stoich.:	AB2C6D38E62 (1)
Weight, g/mol:	702.383824
ΔH_f, kcal/mol:	-394.1
Dipole, Da:	7.86
IP(EA), eV:	-9.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;2-dodecyl-6-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C.CCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C.[Mg+2]

DOS

IR

Vibrations