Geometry & MOs

Info

ID:	72558
PubChem CID:	48416303
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-24.32
Dipole, Da:	7.71
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)N4CCNC4=O

DOS

IR

Vibrations