Geometry & MOs

Info

ID:

310410

PubChem CID:

126579923

Reduced:

SN2H34C54 (1)

Stoich.:

AB2C34D54 (1)

Weight, g/mol:

756.25992

ΔHf, kcal/mol:

237.06

Dipole, Da:

3.52

IP(EA), eV:

 -7.99(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(9,9-dimethylfluoren-2-yl)-7-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)indolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=C6C7=CC=CC=C7N(C6=C5)C8=CC=C(C=C8)C9=CC=CC1=C9SC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations