Geometry & MOs

Info

ID:	378086
PubChem CID:	134224157
Reduced:	ClFNSO3H15C23 (1)
Stoich.:	ABCDE3F15G23 (1)
Weight, g/mol:	407.096914
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	4.99
IP(EA), eV:	-8.73(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-1-(4-fluorophenyl)-3-(4-methoxybenzoyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C3=C(C=CC(=C3)F)C(=C2C(=O)O)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations