Geometry & MOs

Info

ID:

327795

PubChem CID:

126691076

Reduced:

OSN2H40C55 (1)

Stoich.:

ABC2D40E55 (1)

Weight, g/mol:

673.218784

ΔHf, kcal/mol:

213.89

Dipole, Da:

2.45

IP(EA), eV:

 -7.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzofuran-2-yl-N-[4-[6-(8,9-dihydrodibenzothiophen-4-yl)pyridin-3-yl]phenyl]-6-phenylpyridin-3-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC9=C8SC(=C9C=C)C=C)C1=CC=CC=C12

DOS

IR

Vibrations