Geometry & MOs

Info

ID:

377318

PubChem CID:

134223366

Reduced:

ON5H39C60 (1)

Stoich.:

AB5C39D60 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

256.91

Dipole, Da:

1.65

IP(EA), eV:

 -8.18(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=CC(=C5)C9=CC1=C(C=C9)N(C2=C1C=C1C3=CC=CC=C3OC1=C2)C1=CC=CC=C1)C

DOS

IR

Vibrations