Geometry & MOs

Info

ID:	264875
PubChem CID:	103499939
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-143.22
Dipole, Da:	9.52
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-oxo-4-[4-(2-oxopyrrolidin-1-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1)C=CC=C2S(=O)(=O)C)C(C)C(=O)O

DOS

IR

Vibrations