Geometry & MOs

Info

ID:

215617

PubChem CID:

85084991

Reduced:

OPN2F6H22C28 (2)

Stoich.:

ABC2D6E22F28 (2)

Weight, g/mol:

1112.62823

ΔHf, kcal/mol:

-611.66

Dipole, Da:

6.42

IP(EA), eV:

 -8.52(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,8,9-tetrakis-decyl-5,11-diiodo-1,2,3,4,4a,4b,5,5a,6a,7,8,9,10,10a,10b,11,11a,12a-octadecahydroindeno[1,2-b]fluorene-6,12-dione

Drug info:

PubChemData

Smile

CN1C(C(N(P1OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)OP6N(C(C(N6C)C7=CC(=CC=C7)C(F)(F)F)C8=CC(=CC=C8)C(F)(F)F)C)C)C9=CC(=CC=C9)C(F)(F)F)C1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations