Geometry & MOs

Info

ID:	219787
PubChem CID:	85164896
Reduced:	S2F3O3C10H10 (2)
Stoich.:	A2B3C3D10E10 (2)
Weight, g/mol:	300.100643
ΔH_f, kcal/mol:	-476.97
Dipole, Da:	10.78
IP(EA), eV:	-9.51(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2,3-diphenyl-1,4-dithioniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

C1C[S+]2CC[S+]1C(C2C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations