Geometry & MOs

Info

ID:	378067
PubChem CID:	134224136
Reduced:	FNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	405.076786
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	1.59
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-(4-methoxybenzoyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)SC)C=C(C=C2)F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations