Geometry & MOs

Info

ID:	79060
PubChem CID:	49746641
Reduced:	OSF3N3H14C17 (1)
Stoich.:	ABC3D3E14F17 (1)
Weight, g/mol:	365.080968
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	2.35
IP(EA), eV:	-9.32(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-2-yl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC(=CC=C2)C(F)(F)F)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations