Geometry & MOs

Info

ID:	378108
PubChem CID:	134224180
Reduced:	NCl2F2O3H13C22 (1)
Stoich.:	AB2C2D3E13F22 (1)
Weight, g/mol:	433.008405
ΔH_f, kcal/mol:	-133.77
Dipole, Da:	9.94
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,6-dichlorophenoxy)-7-fluoroindol-1-yl]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

C=C(C1=C(C=C(C=C1)F)NC2=C(C=C(C=C2)C(=O)O)F)C(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations