Geometry & MOs

Info

ID:	72579
PubChem CID:	48416325
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	8.62
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations