Geometry & MOs

Info

ID:	445369
PubChem CID:	135266526
Reduced:	ClS2O3N7C41H42 (1)
Stoich.:	AB2C3D7E41F42 (1)
Weight, g/mol:	421.96829
ΔH_f, kcal/mol:	83.45
Dipole, Da:	5.61
IP(EA), eV:	-8.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)-5-(3-iodophenyl)imidazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NSC6CCC(C(=C6)[N+](=O)[O-])NSC7=CC=CC=C7)C(=O)N

DOS

IR

Vibrations