Geometry & MOs

Info

ID:

377626

PubChem CID:

134223690

Reduced:

SO3N4H54C96 (1)

Stoich.:

AB3C4D54E96 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

353.63

Dipole, Da:

4.25

IP(EA), eV:

 -7.99(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-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=C6C9=CC=CC=C9O8)C1=C2C=C2C(=C1)C1=C(O2)C(=CC=C1)C1=CC2=C(C3=C(N2C2=CC=CC=C2)C=C(C=C3)C2=CC3=C(C=C2)N(C2=C3C=C3C4=CC=CC=C4OC3=C2)C2=CC=CC=C2)C2=C1SC1=CC=CC=C12

DOS

IR

Vibrations