Geometry & MOs

Info

ID:	49737
PubChem CID:	11533687
Reduced:	SO3N4C29H34 (1)
Stoich.:	AB3C4D29E34 (1)
Weight, g/mol:	517.72004
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	5.26
IP(EA), eV:	-7.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-bromophenyl)iodanium;bromide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCCCC2)C3=CSC(=N3)NC(=O)C4CCCN(C4)C(=O)CC5=CC=CC=N5

DOS

IR

Vibrations