Geometry & MOs

Info

ID:

441283

PubChem CID:

135233968

Reduced:

O2N3H27C47 (1)

Stoich.:

A2B3C27D47 (1)

Weight, g/mol:

693.223869

ΔHf, kcal/mol:

186.24

Dipole, Da:

1.66

IP(EA), eV:

 -8.7(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-4-[8-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C(=CC=C3)OC5=C4C=C(C=C5)C6=CC7=CC=CC=C7C8=CC=CC=C86)C9=C1C2=CC=CC=C2OC1=CC=C9

DOS

IR

Vibrations