Geometry & MOs

Info

ID:	20290
PubChem CID:	582958
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-132.96
Dipole, Da:	8.85
IP(EA), eV:	-9.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoethyl)-4-hydroxy-3-methylsulfonyl-2-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCN)O

DOS

IR

Vibrations