Geometry & MOs

Info

ID:

316432

PubChem CID:

126630908

Reduced:

ON2H14C25 (3)

Stoich.:

AB2C14D25 (3)

Weight, g/mol:

1122.263309

ΔHf, kcal/mol:

451.34

Dipole, Da:

4.86

IP(EA), eV:

 -7.89(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[4,6-bis[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC(=N5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C7C1=C(C=C9)C2=CC=CC=C2O1)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2O1)C1=C(C=C3)C2=CC=CC=C2O1

DOS

IR

Vibrations