Geometry & MOs

Info

ID:	338051
PubChem CID:	127258682
Reduced:	SO6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	357.088223
ΔH_f, kcal/mol:	-257.39
Dipole, Da:	6.43
IP(EA), eV:	-10.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutanoyl (2S)-4-(benzenesulfonyloxy)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(CC(=O)OCCCCOS(=O)(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations