Geometry & MOs

Info

ID:	136115
PubChem CID:	51980015
Reduced:	F3O4H10C17 (1)
Stoich.:	A3B4C10D17 (1)
Weight, g/mol:	339.038389
ΔH_f, kcal/mol:	-198.86
Dipole, Da:	2.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789425
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[(E)-2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-2-oxo-1,3,4-oxadiazol-3-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)C(=O)[O-])OC(F)(F)F

DOS

IR

Vibrations