Geometry & MOs

Info

ID:

317077

PubChem CID:

126632432

Reduced:

NH19C27 (4)

Stoich.:

AB19C27 (4)

Weight, g/mol:

1350.365315

ΔHf, kcal/mol:

407.14

Dipole, Da:

2.79

IP(EA), eV:

 -8.14(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,4-bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]pyrimidin-5-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC(=C6)C7=C8C(=CC(=CC8=NC=C7)C9=CC(=CC=C9)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)C2=CC(=CC=C2)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)C2=CC=CC=C21)C

DOS

IR

Vibrations