Geometry & MOs

Info

ID:

377299

PubChem CID:

134223347

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

222.3

Dipole, Da:

2.74

IP(EA), eV:

 -7.74(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-8-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-9-yl)-[1]benzofuro[3,2-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=C8C9=CC=CC=C9N(C8=C6)C1=CC=CC=C1)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations