Geometry & MOs

Info

ID:	1056
PubChem CID:	3726
Reduced:	IOSN3H16C21 (1)
Stoich.:	ABCD3E16F21 (1)
Weight, g/mol:	485.00588
ΔH_f, kcal/mol:	105.04
Dipole, Da:	5.87
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-iodophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

Drug info:

PubChemData

Smile

CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=CC=C4)I

DOS

IR

Vibrations