Geometry & MOs

Info

ID:	378065
PubChem CID:	134224134
Reduced:	ClNO4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	405.083493
ΔH_f, kcal/mol:	-107.4
Dipole, Da:	4.7
IP(EA), eV:	-9.21(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-6-fluoro-1-(4-methylsulfanylphenyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations