Geometry & MOs

Info

ID:	66209
PubChem CID:	46500433
Reduced:	ClO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	392.104003
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	4.09
IP(EA), eV:	-8.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-chlorophenyl)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl)/NC1=O

DOS

IR

Vibrations