Geometry & MOs

Info

ID:	68180
PubChem CID:	46507918
Reduced:	OSN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	253.007661
ΔH_f, kcal/mol:	61.22
Dipole, Da:	4.95
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=N2)CC(=S)N

DOS

IR

Vibrations