Geometry & MOs

Info

ID:	137928
PubChem CID:	52284970
Reduced:	SN2O6C21H28 (1)
Stoich.:	AB2C6D21E28 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-246.09
Dipole, Da:	6.39
IP(EA), eV:	-8.98(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2-cyclopentyloxypyridin-3-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)COC2=CC=C(C=C2)CNC(=O)[C@H]3CC(=O)N(C3)[C@@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations