Geometry & MOs

Info

ID:	193343
PubChem CID:	78378581
Reduced:	FeSO6N7C21H21 (1)
Stoich.:	ABC6D7E21F21 (1)
Weight, g/mol:	441.0246
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	1.67
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-iodophenyl)-2-[(2-phenyl-1,2,4-triazolidin-2-ium-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=NC=C1)C2=NC(=CC=C2)C(=NNC(=O)C3=CC=NC=C3)C.[OH2+]S(=O)(=O)[O-].[Fe+2]

DOS

IR

Vibrations