Geometry & MOs

Info

ID:

427858

PubChem CID:

135164586

Reduced:

ON2H38C55 (1)

Stoich.:

AB2C38D55 (1)

Weight, g/mol:

768.25992

ΔHf, kcal/mol:

187.56

Dipole, Da:

2.46

IP(EA), eV:

 -7.96(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=CC=CC=C7O6)C8=C1C=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC2=CC=CC=C2C=C1)C

DOS

IR

Vibrations