Geometry & MOs

Info

ID:

316943

PubChem CID:

126632117

Reduced:

N5H73C103 (1)

Stoich.:

A5B73C103 (1)

Weight, g/mol:

1348.374817

ΔHf, kcal/mol:

400.2

Dipole, Da:

3.97

IP(EA), eV:

 -8.17(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations