Geometry & MOs

Info

ID:	72709
PubChem CID:	48416462
Reduced:	SN4O4C19H26 (1)
Stoich.:	AB4C4D19E26 (1)
Weight, g/mol:	418.180504
ΔH_f, kcal/mol:	-144.66
Dipole, Da:	3.87
IP(EA), eV:	-9.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations