Geometry & MOs

Info

ID:	68179
PubChem CID:	46507915
Reduced:	OSF3N3H8C11 (1)
Stoich.:	ABC3D3E8F11 (1)
Weight, g/mol:	219.046633
ΔH_f, kcal/mol:	-100.41
Dipole, Da:	1.94
IP(EA), eV:	-9.12(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CC(=S)N)C(F)(F)F

DOS

IR

Vibrations