Geometry & MOs

Info

ID:

377437

PubChem CID:

134223489

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

356.0

Dipole, Da:

3.18

IP(EA), eV:

 -7.93(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C(=C6)C8=C(O7)C=CC(=C8)C9=CC1=C(C3=CC=CC=C3S1)C1=C9N(C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=C3C=C3C(=C1)C1=CC=CC=C1O3)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=C2C=CC2=C1C1=CC=CC=C1O2

DOS

IR

Vibrations