Geometry & MOs

Info

ID:

377711

PubChem CID:

134223775

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

229.07

Dipole, Da:

2.05

IP(EA), eV:

 -7.96(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-2-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)-[1]benzofuro[2,3-a]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)C8=C(C=C6)C9=CC=CC=C9O8)C1=C2C2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations