Geometry & MOs

Info

ID:	79061
PubChem CID:	49746642
Reduced:	OSF3N3H14C17 (1)
Stoich.:	ABC3D3E14F17 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	4.87
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations