Geometry & MOs

Info

ID:	72783
PubChem CID:	48416539
Reduced:	ClN3O4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-144.97
Dipole, Da:	7.93
IP(EA), eV:	-8.69(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)N2CCCC(C2)N3CCNC3=O)Cl)OC

DOS

IR

Vibrations