Geometry & MOs

Info

ID:

316948

PubChem CID:

126632127

Reduced:

N2O7C19H24 (1)

Stoich.:

A2B7C19D24 (1)

Weight, g/mol:

1350.365315

ΔHf, kcal/mol:

-218.51

Dipole, Da:

2.1

IP(EA), eV:

 -9.68(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzothiophen-3-yl-9-[3-[6-[3-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-2-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C=CC(=O)OCCOC(=O)NCC1=CC(=CC=C1)CNOCCOC(=O)C=C

DOS

IR

Vibrations