Geometry & MOs

Info

ID:

377614

PubChem CID:

134223677

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

363.32

Dipole, Da:

1.99

IP(EA), eV:

 -7.92(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=CC7=C6OC8=C7C=CC(=C8)C9=CC1=C(C3=C(N1C1=CC=CC=C1)C=CC(=C3)C1=CC3=C(C=C1)N(C1=C3C=CC3=C1OC1=CC=CC=C31)C1=CC=CC=C1)C1=C9SC3=CC=CC=C31)C1=CC=CC=C1)C1=C2C=CC2=C1C1=CC=CC=C1O2

DOS

IR

Vibrations