Geometry & MOs

Info

ID:	197807
PubChem CID:	79000679
Reduced:	NO6C11H17 (1)
Stoich.:	AB6C11D17 (1)
Weight, g/mol:	251.046358
ΔH_f, kcal/mol:	-280.3
Dipole, Da:	7.44
IP(EA), eV:	-10.17(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-hydroxy-1-(2-methylsulfonylacetyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)N1C[C@@H](C[C@@H]1C(=O)O)O

DOS

IR

Vibrations