Geometry & MOs

Info

ID:	410340
PubChem CID:	135083135
Reduced:	STeO3H10F12C18 (1)
Stoich.:	ABC3D10E12F18 (1)
Weight, g/mol:	669.973781
ΔH_f, kcal/mol:	-705.75
Dipole, Da:	5.87
IP(EA), eV:	-9.81(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,8-dimethyl-3,7-dinitro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)dibenzothiophen-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)[Te](C3=C2C=C(C(=C3)F)C)(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations