Geometry & MOs

Info

ID:	378085
PubChem CID:	134224156
Reduced:	FNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	439.04452
ΔH_f, kcal/mol:	-103.09
Dipole, Da:	3.59
IP(EA), eV:	-9.32(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)F)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations