Geometry & MOs

Info

ID:

377424

PubChem CID:

134223476

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

225.3

Dipole, Da:

2.22

IP(EA), eV:

 -7.97(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-3-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-2-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=CC8=C7OC9=CC=CC=C89)C1=CC=CC=C1)C1=C(C=C3)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations