Geometry & MOs

Info

ID:	378103
PubChem CID:	134224174
Reduced:	N2Cl3O3H13C22 (1)
Stoich.:	A2B3C3D13E22 (1)
Weight, g/mol:	457.003926
ΔH_f, kcal/mol:	-11.86
Dipole, Da:	2.31
IP(EA), eV:	-9.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=NO)C2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)O)Cl

DOS

IR

Vibrations