Geometry & MOs

Info

ID:	294678
PubChem CID:	117480903
Reduced:	SO5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-193.45
Dipole, Da:	7.64
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[methyl(methylsulfonyl)amino]phenyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2CCSCC2)C(C(=O)O)O

DOS

IR

Vibrations