Geometry & MOs

Info

ID:	304173
PubChem CID:	124498016
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	12.38
Dipole, Da:	1.45
IP(EA), eV:	-8.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-(2-ethylsulfanylpyridin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1C2=C(N=CC=C2)SCC

DOS

IR

Vibrations