Geometry & MOs

Info

ID:	378008
PubChem CID:	134224076
Reduced:	BrNCl2O3H18C25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	500.95341
ΔH_f, kcal/mol:	-48.34
Dipole, Da:	1.86
IP(EA), eV:	-9.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=C(C=C2)Br)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations