Geometry & MOs

Info

ID:	338053
PubChem CID:	127258684
Reduced:	SO6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	371.103873
ΔH_f, kcal/mol:	-268.29
Dipole, Da:	6.08
IP(EA), eV:	-10.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutanoyl (2S)-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCCCOC(=O)CC(C)O

DOS

IR

Vibrations