Geometry & MOs

Info

ID:	130172
PubChem CID:	51075144
Reduced:	FSO2N5C13H16 (1)
Stoich.:	ABC2D5E13F16 (1)
Weight, g/mol:	329.050398
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	5.51
IP(EA), eV:	-9.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

CN(CN1N=C(N=N1)C2=CC=C(C=C2)F)C3CCS(=O)(=O)C3

DOS

IR

Vibrations