Geometry & MOs

Info

ID:

377375

PubChem CID:

134223425

Reduced:

ON4H42C65 (1)

Stoich.:

AB4C42D65 (1)

Weight, g/mol:

696.169391

ΔHf, kcal/mol:

260.77

Dipole, Da:

4.62

IP(EA), eV:

 -8.06(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=NC7=CC=CC=C7C(=N6)C8=CC=C(C=C8)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