Geometry & MOs

Info

ID:	377942
PubChem CID:	134224009
Reduced:	NCl3O3H16C24 (1)
Stoich.:	AB3C3D16E24 (1)
Weight, g/mol:	442.988276
ΔH_f, kcal/mol:	-53.51
Dipole, Da:	2.22
IP(EA), eV:	-9.24(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=C(C=C2)Cl)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations