Geometry & MOs

Info

ID:	227537
PubChem CID:	87561949
Reduced:	ClKS2O6H17C26 (1)
Stoich.:	ABC2D6E17F26 (1)
Weight, g/mol:	479.998925
ΔH_f, kcal/mol:	-201.66
Dipole, Da:	12.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.245279
Charge, e:	0

Chem-info

IUPAC name:

potassium;2-chloro-9-fluoren-9-ylidenefluorene-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C3=C(C(C2=C1)C4C5=CC=CC=C5C6=C4C(=C(C=C6)Cl)S(=O)(=O)O)C(=CC=C3)S(=O)(=O)O.[K]

DOS

IR

Vibrations