Geometry & MOs

Info

ID:

377444

PubChem CID:

134223496

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

356.67

Dipole, Da:

2.69

IP(EA), eV:

 -7.94(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-10-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-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)N(C6=C5C7=C(C(=C6)C8=CC9=C(C1=C(N9C3=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=C8SC3=CC=CC=C31)OC1=CC=CC=C17)C1=CC=CC=C1)C1=C2C=CC2=C1C1=CC=CC=C1O2

DOS

IR

Vibrations