Geometry & MOs

Info

ID:

377598

PubChem CID:

134223660

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

739.200825

ΔHf, kcal/mol:

473.9

Dipole, Da:

5.53

IP(EA), eV:

 -7.96(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C7=C(C=C6)SC8=CC=CC=C87)C9=CC=CC(=C9)C1=CC3=C(C=C1)OC1=C3C=CC3=C1C1=C(N3C3=CC=CC=C3)C=CC(=C1)C1=CC3=C(C=C1)N(C1=C3C3=C(C=C1)OC1=CC=CC=C13)C1=CC=CC=C1)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations