Geometry & MOs

Info

ID:

150530

PubChem CID:

53790223

Reduced:

SN2O4F9C22H23 (1)

Stoich.:

AB2C4D9E22F23 (1)

Weight, g/mol:

1097.99955

ΔHf, kcal/mol:

-561.92

Dipole, Da:

6.65

IP(EA), eV:

 -9.09(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,4'-dibromo-5'-(2,8-diazido-3,4-dioxonaphthalen-1-yl)sulfonyloxy-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-5-yl] 2,8-diazido-3,4-dioxonaphthalene-1-sulfonate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations