Geometry & MOs

Info

ID:	44845
PubChem CID:	10506147
Reduced:	BrNS2O4H22C23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	222.053693
ΔH_f, kcal/mol:	-97.81
Dipole, Da:	4.17
IP(EA), eV:	-8.81(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations