Geometry & MOs

Info

ID:	378128
PubChem CID:	134224201
Reduced:	FNCl2O3H14C21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	455.012741
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	4.39
IP(EA), eV:	-8.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,6-dichlorobenzoyl)-6-formylindol-1-yl]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1NC2=C(C=C(C=C2)C(=O)O)F)OC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations