Geometry & MOs

Info

ID:	56848
PubChem CID:	22394366
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	406.03902
ΔH_f, kcal/mol:	-41.48
Dipole, Da:	4.03
IP(EA), eV:	-9.42(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloroanilino)-2-oxoethyl]-5-methylsulfonylindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=NOC(C2)CN

DOS

IR

Vibrations