Geometry & MOs

Info

ID:	226759
PubChem CID:	87558146
Reduced:	NaSO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	868.144788
ΔH_f, kcal/mol:	-74.84
Dipole, Da:	5.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750230
Charge, e:	-2

Chem-info

IUPAC name:

dimethylsilylidenezirconium(2+);2-ethyl-4-(2-fluoro-6-phenylphenyl)-1H-azulen-1-ide;dichloride

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O.[Na]

DOS

IR

Vibrations