Geometry & MOs

Info

ID:	180106
PubChem CID:	76578616
Reduced:	S2O3N5C21H21 (1)
Stoich.:	A2B3C5D21E21 (1)
Weight, g/mol:	443.09735
ΔH_f, kcal/mol:	-16.19
Dipole, Da:	5.74
IP(EA), eV:	-9.04(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azanidylidenepent-2-en-2-ylazanide;iridium(3+);2-phenylpyridine

Drug info:

PubChemData

Smile

CC(CO)NC1=CC(=NC(=N1)SCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations