Geometry & MOs

Info

ID:	229818
PubChem CID:	87569203
Reduced:	BrSC2F2H3O3 (1)
Stoich.:	ABC2D2E3F3 (1)
Weight, g/mol:	975.8493
ΔH_f, kcal/mol:	-224.97
Dipole, Da:	3.83
IP(EA), eV:	-11.68(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[16-(2,2-diiodo-1-methyl-3H-benzimidazol-1-ium-1-yl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-2,2-diiodo-3-methyl-1H-benzimidazol-3-ium

Drug info:

PubChemData

Smile

C(C(F)(F)Br)S(=O)(=O)O

DOS

IR

Vibrations