Geometry & MOs

Info

ID:

377650

PubChem CID:

134223714

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

890.329714

ΔHf, kcal/mol:

351.33

Dipole, Da:

3.79

IP(EA), eV:

 -8.06(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(4-fluoranthen-3-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[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=C6SC9=CC=CC(=C89)C1=CC3=C(C=C1)OC1=C3C=CC3=C1C1=C(N3C3=CC=CC=C3)C=CC(=C1)C1=CC3=C(C=C1)C1=C(N3C3=CC=CC=C3)C=CC3=C1OC1=CC=CC=C31)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations