Geometry & MOs

Info

ID:

377399

PubChem CID:

134223450

Reduced:

ON4H42C65 (1)

Stoich.:

AB4C42D65 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

258.5

Dipole, Da:

4.88

IP(EA), eV:

 -7.99(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-8-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-8-yl)-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=C(C=C6)C7=NC8=CC=CC=C8C(=N7)C9=CC=CC=C9)C=CC(=C5)C1=CC2=C(C=C1)N(C1=C2C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations