Geometry & MOs

Info

ID:	124210
PubChem CID:	50874802
Reduced:	ClO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	387.080826
ΔH_f, kcal/mol:	41.75
Dipole, Da:	3.49
IP(EA), eV:	-9.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations