Geometry & MOs

Info

ID:	337938
PubChem CID:	127258561
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	309.088223
ΔH_f, kcal/mol:	-126.51
Dipole, Da:	2.06
IP(EA), eV:	-9.13(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoyl (2S)-3-hydroxy-1-methyl-4-methylsulfonyloxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1=CC(=CC=C1)O

DOS

IR

Vibrations