Geometry & MOs

Info

ID:	124213
PubChem CID:	50874838
Reduced:	ClSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	5.77
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)CCSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations