Geometry & MOs

Info

ID:	377997
PubChem CID:	134224064
Reduced:	NCl2O3H17C24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	409.027249
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	3.58
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorobenzoyl)-1-(3-chlorophenyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N1C3=CC(=CC=C3)Cl)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations