Geometry & MOs

Info

ID:

377468

PubChem CID:

134223522

Reduced:

ON4H44C67 (1)

Stoich.:

AB4C44D67 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

266.09

Dipole, Da:

2.93

IP(EA), eV:

 -8.03(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-3-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=C(C=C6)C7=NC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C=CC(=C5)C1=CC2=C(C=C1)OC1=C2C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations