Geometry & MOs

Info

ID:

299895

PubChem CID:

117853842

Reduced:

O21H38C50 (1)

Stoich.:

A21B38C50 (1)

Weight, g/mol:

981.230612

ΔHf, kcal/mol:

-663.75

Dipole, Da:

8.33

IP(EA), eV:

 -8.39(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-dibenzothiophen-2-ylphenyl)-6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2-phenyl-[1,3]thiazolo[4,5-b]carbazole

Drug info:

PubChemData

Smile

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)[C@H]5[C@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=O)C(=C8C(=C7)C(=CC(=C8O)O)[C@H]9[C@H](CC1=C(C=C(C=C1O9)O)O)O)O)O)O)O)O

DOS

IR

Vibrations