Geometry & MOs

Info

ID:

377447

PubChem CID:

134223499

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

176.94

Dipole, Da:

1.58

IP(EA), eV:

 -7.93(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-a]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)N(C9=C8C=CC1=C9OC2=CC=CC=C12)C1=CC=CC=C1)C

DOS

IR

Vibrations