Geometry & MOs

Info

ID:

377563

PubChem CID:

134223621

Reduced:

SN3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

706.24427

ΔHf, kcal/mol:

247.83

Dipole, Da:

4.19

IP(EA), eV:

 -7.98(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[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=C8C(=C6)C9=CC=CC=C9S8)C1=C2C=C2C(=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations