Geometry & MOs

Info

ID:	72916
PubChem CID:	48416680
Reduced:	O3N6C18H22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	339.136511
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	3.25
IP(EA), eV:	-9.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC2=NC(=NO2)C3=CN=CC=C3)N4CCNC4=O

DOS

IR

Vibrations