Geometry & MOs

Info

ID:	120737
PubChem CID:	50742619
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	338.090272
ΔH_f, kcal/mol:	-125.34
Dipole, Da:	13.25
IP(EA), eV:	-8.68(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-carboxyanilino)-2-oxoethyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C(=O)O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCC4)C

DOS

IR

Vibrations