Geometry & MOs

Info

ID:	226732
PubChem CID:	87557918
Reduced:	CaS2O6C38H62 (1)
Stoich.:	AB2C6D38E62 (1)
Weight, g/mol:	461.991481
ΔH_f, kcal/mol:	-335.76
Dipole, Da:	6.84
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations