Geometry & MOs

Info

ID:	68182
PubChem CID:	46507920
Reduced:	ClOSN3H10C11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	287.034018
ΔH_f, kcal/mol:	44.86
Dipole, Da:	3.3
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=NOC(=N2)CC(=S)N)Cl

DOS

IR

Vibrations