Geometry & MOs

Info

ID:	276134
PubChem CID:	103820841
Reduced:	ClSO2N3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	2.51
IP(EA), eV:	-8.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(6-methylsulfonylpyridin-3-yl)amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=C(C=CC3=C2N=CS3)Cl

DOS

IR

Vibrations