Geometry & MOs

Info

ID:

377576

PubChem CID:

134223635

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

173.5

Dipole, Da:

3.79

IP(EA), eV:

 -8.05(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-9-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-3-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=CC(=C5)C7=CC8=C(C=C7)C9=C(N8C1=CC=CC=C1)C=C1C2=CC=CC=C2OC1=C9)C

DOS

IR

Vibrations