Geometry & MOs

Info

ID:	72815
PubChem CID:	48416575
Reduced:	F2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	403.112126
ΔH_f, kcal/mol:	-209.0
Dipole, Da:	7.66
IP(EA), eV:	-9.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)OC(F)F)N3CCNC3=O

DOS

IR

Vibrations