Geometry & MOs

Info

ID:	8718
PubChem CID:	80575
Reduced:	NaSN2O4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	462.158923
ΔH_f, kcal/mol:	-156.82
Dipole, Da:	13.25
IP(EA), eV:	-8.25(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-[bis[4-(dimethylamino)phenyl]methyl]-2-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC(=C(C=C3)OC)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations