Geometry & MOs

Info

ID:

377682

PubChem CID:

134223746

Reduced:

NOH15C26 (2)

Stoich.:

ABC15D26 (2)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

176.0

Dipole, Da:

1.87

IP(EA), eV:

 -8.1(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-8-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-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)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC1=CC=CC=C19)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations