Geometry & MOs

Info

ID:	354946
PubChem CID:	127287807
Reduced:	FSO2N3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	8.96
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations