Geometry & MOs

Info

ID:	446644
PubChem CID:	135276610
Reduced:	O2S2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-83.92
Dipole, Da:	3.23
IP(EA), eV:	-9.48(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-hydroxy-2-[(2R)-pyrrolidin-2-yl]acetate

Drug info:

PubChemData

Smile

CCC(C)(C)SS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations