Geometry & MOs

Info

ID:	72857
PubChem CID:	48416620
Reduced:	ClSO2N3C17H22 (1)
Stoich.:	ABC2D3E17F22 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-83.14
Dipole, Da:	6.11
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CSCC2=CC(=CC=C2)Cl)N3CCNC3=O

DOS

IR

Vibrations