Geometry & MOs

Info

ID:	378076
PubChem CID:	134224147
Reduced:	NO2Cl3H18C24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	471.019576
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	2.24
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-3-(3-chlorobenzoyl)-1-(4-chlorophenyl)indole-2-carboxylate

Drug info:

PubChemData

Smile

CCOCC1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=C(C=C2)Cl)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations