Geometry & MOs

Info

ID:

410345

PubChem CID:

135083140

Reduced:

STeO3F20H28C31 (1)

Stoich.:

ABC3D20E28F31 (1)

Weight, g/mol:

664.097525

ΔHf, kcal/mol:

-1143.31

Dipole, Da:

7.28

IP(EA), eV:

-9.34(-1.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[3,7-ditert-butyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)dibenzothiophen-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(C)(C)C)[Te](C3=C2C=C(C(=C3)C(C)(C)C)C)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations