Geometry & MOs

Info

ID:	25374
PubChem CID:	623903
Reduced:	NO2S2H21C25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	276.058499
ΔH_f, kcal/mol:	20.01
Dipole, Da:	6.67
IP(EA), eV:	-8.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,5,5,6,6-hexafluoro-2,3-dimethoxybicyclo[2.2.2]oct-2-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3C=CCC3C4(S2)C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations