Geometry & MOs

Info

ID:	337941
PubChem CID:	127258564
Reduced:	NSO7C16H21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	371.103873
ΔH_f, kcal/mol:	-278.68
Dipole, Da:	4.9
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoyl (2S)-4-(benzenesulfonyloxy)-3-hydroxy-2-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)[C@@H]1C(C(CN1C)OS(=O)(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations