Geometry & MOs

Info

ID:	377994
PubChem CID:	134224061
Reduced:	NCl2O3H13C22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	506.977654
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	5.57
IP(EA), eV:	-9.41(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations