Geometry & MOs

Info

ID:	9408
PubChem CID:	89319
Reduced:	I2O2S2N4C21H28 (1)
Stoich.:	A2B2C2D4E21F28 (1)
Weight, g/mol:	685.97431
ΔH_f, kcal/mol:	-31.71
Dipole, Da:	12.12
IP(EA), eV:	-7.23(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis[2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenylamino]benzoic acid;diiodide

Drug info:

PubChemData

Smile

CC[N+]1=C(SCC1)C=CNC2=CC(=C(C=C2)NC=CC3=[N+](CCS3)CC)C(=O)O.[I-].[I-]

DOS

IR

Vibrations