Geometry & MOs

Info

ID:	378097
PubChem CID:	134224168
Reduced:	NCl3O3H12C18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	407.072449
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	2.75
IP(EA), eV:	-9.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorobenzoyl)-6-fluoro-1-(4-methylphenyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations