Geometry & MOs

Info

ID:

446030

PubChem CID:

135271728

Reduced:

NOH41C63 (1)

Stoich.:

ABC41D63 (1)

Weight, g/mol:

785.221092

ΔHf, kcal/mol:

241.82

Dipole, Da:

1.72

IP(EA), eV:

 -7.89(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenanthren-4-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=C(C=C9)C1=CC=CC2=C1OC1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations