Geometry & MOs

Info

ID:

311891

PubChem CID:

126598900

Reduced:

F3N3O5H22C25 (1)

Stoich.:

A3B3C5D22E25 (1)

Weight, g/mol:

1334.608974

ΔHf, kcal/mol:

-245.84

Dipole, Da:

4.13

IP(EA), eV:

 -8.7(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,2,2,3,3-hexamethyl-6-[9-[9-[[1,1,2,3,3-pentamethyl-6-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9H-cyclopenta[b]carbazol-2-yl]methyl]dibenzothiophen-4-yl]carbazol-3-yl]-9H-cyclopenta[b]carbazole

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1C(=O)O)C2=C(C=CC(=N2)C3=CN=C(C=C3)NCC4=CC(=CC=C4)OC(F)(F)F)OC5COC5

DOS

IR

Vibrations