Geometry & MOs

Info

ID:	17226
PubChem CID:	489332
Reduced:	ClSO2N3C33H34 (1)
Stoich.:	ABC2D3E33F34 (1)
Weight, g/mol:	571.206026
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	4.38
IP(EA), eV:	-8.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(1-benzothiophen-3-ylmethyl)-3-[2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)CCC(CN3C(=O)[C@H](NC3=O)CC4=CSC5=CC=CC=C54)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations