Geometry & MOs

Info

ID:	139589
PubChem CID:	52566657
Reduced:	BrN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	1.95
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-(3-methoxyphenyl)sulfanylethyl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)[C@@H](C)OC(=O)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations