Geometry & MOs

Info

ID:

316490

PubChem CID:

126631001

Reduced:

S3N4H32C59 (1)

Stoich.:

A3B4C32D59 (1)

Weight, g/mol:

973.414447

ΔHf, kcal/mol:

300.97

Dipole, Da:

3.18

IP(EA), eV:

 -8.04(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3,4-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)cinnolin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C(N=C(C=C4)N5C6=CC=CC=C6C7=C5C=C8C9=CC=CC=C9SC8=C7)N1C2=CC=CC=C2C2=C1C=C1C4=CC=CC=C4SC1=C2)C=C1C2=CC=CC=C2SC1=C3

DOS

IR

Vibrations