Geometry & MOs

Info

ID:	136574
PubChem CID:	52066838
Reduced:	ClSO2N5H18C20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	56.01
Dipole, Da:	2.7
IP(EA), eV:	-9.57(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=C(S2)C#N)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations