Geometry & MOs

Info

ID:

377697

PubChem CID:

134223761

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

173.76

Dipole, Da:

2.75

IP(EA), eV:

 -8.0(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-8-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=C(C=C5)C7=CC8=C(C=C7)N(C9=C8C=C1C(=C9)C2=CC=CC=C2O1)C1=CC=CC=C1)C

DOS

IR

Vibrations