Geometry & MOs

Info

ID:

377429

PubChem CID:

134223481

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

353.97

Dipole, Da:

8.02

IP(EA), eV:

 -8.05(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC8=C6C9=CC=CC=C9O8)C1=C2C=C2C3=C(C=C(C=C3)C3=CC4=C(C5=C(N4C4=CC=CC=C4)C=C(C=C5)C4=CC5=C(C=C4)N(C4=C5C=C5C(=C4)C4=CC=CC=C4O5)C4=CC=CC=C4)C4=C3SC3=CC=CC=C34)OC2=C1

DOS

IR

Vibrations