Geometry & MOs

Info

ID:	189041
PubChem CID:	77807678
Reduced:	OSN5C25H29 (1)
Stoich.:	ABC5D25E29 (1)
Weight, g/mol:	560.0476
ΔH_f, kcal/mol:	25.36
Dipole, Da:	3.91
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[1-(4-iodophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(N=CN2C1=NC(=C2)CC3CCCCN3C(=O)C4C(SC(=N4)C)C5=CC=CC=C5)C

DOS

IR

Vibrations