Geometry & MOs

Info

ID:	68181
PubChem CID:	46507919
Reduced:	ClOSN3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	267.023311
ΔH_f, kcal/mol:	51.58
Dipole, Da:	3.27
IP(EA), eV:	-9.05(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanethioamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CC(=S)N)Cl

DOS

IR

Vibrations