Geometry & MOs

Info

ID:	377978
PubChem CID:	134224045
Reduced:	BrNCl2O3H12C22 (1)
Stoich.:	ABC2D3E12F22 (1)
Weight, g/mol:	514.96906
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	4.33
IP(EA), eV:	-9.48(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=C(N(C3=C2C=CC(=C3)Br)C4=CC=C(C=C4)Cl)C(=O)O)Cl

DOS

IR

Vibrations