Geometry & MOs

Info

ID:	154576
PubChem CID:	56314041
Reduced:	FNO3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	404.156992
ΔH_f, kcal/mol:	-145.77
Dipole, Da:	4.33
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C)(C)C1=CC=CC=C1F)OCC2=CC(=CC=C2)OC

DOS

IR

Vibrations