Geometry & MOs

Info

ID:	361975
PubChem CID:	127304987
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	-132.29
Dipole, Da:	8.02
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-2-yl)methyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)CN(C)S(=O)(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations