Geometry & MOs

Info

ID:

47502

PubChem CID:

10533530

Reduced:

N2S2F6C29H30 (1)

Stoich.:

A2B2C6D29E30 (1)

Weight, g/mol:

840.22253

ΔHf, kcal/mol:

-121.19

Dipole, Da:

13.3

IP(EA), eV:

 -3.56(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(1R,2R)-8,8,9,9,10,10-hexafluoro-1,2,5,13-tetramethyl-14-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C=C(C=C2)[N+](C)(C)C)C3=C(C(C(C3(F)F)(F)F)(F)F)C4=C(SC5=C4C=CC(=C5)[N+](C)(C)C)C

DOS

IR

Vibrations