Geometry & MOs

Info

ID:	258094
PubChem CID:	103150840
Reduced:	OSN2F3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	268.032934
ΔH_f, kcal/mol:	-148.28
Dipole, Da:	4.58
IP(EA), eV:	-9.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1=C(N=C(S1)CCOCC(F)(F)F)CC#N

DOS

IR

Vibrations