Geometry & MOs

Info

ID:	61095
PubChem CID:	26705653
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	9.98
IP(EA), eV:	-9.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3F

DOS

IR

Vibrations