Geometry & MOs

Info

ID:

377460

PubChem CID:

134223513

Reduced:

ON4H44C67 (1)

Stoich.:

AB4C44D67 (1)

Weight, g/mol:

1343.395018

ΔHf, kcal/mol:

264.89

Dipole, Da:

3.2

IP(EA), eV:

 -8.06(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-9-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-4-[5-phenyl-2-(7-phenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C6C7=CC=CC=C7OC6=C5)C8=CC=C(C=C8)C9=NC(=NC(=C9)C2=CC=CC=C2)C2=CC=CC=C2)C2=C1C=C1C(=C2)C2=CC=CC=C2N1C1=CC=CC=C1)C

DOS

IR

Vibrations