Geometry & MOs

Info

ID:	406709
PubChem CID:	135078435
Reduced:	NO3H6F9C11 (1)
Stoich.:	AB3C6D9E11 (1)
Weight, g/mol:	296.017701
ΔH_f, kcal/mol:	-479.87
Dipole, Da:	5.37
IP(EA), eV:	-10.65(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1,1-dioxo-2H-thieno[3,2-b]thiophen-3-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])OCC(C(C(F)F)(F)F)(F)F

DOS

IR

Vibrations