Geometry & MOs

Info

ID:

317074

PubChem CID:

126632429

Reduced:

N5H75C107 (1)

Stoich.:

A5B75C107 (1)

Weight, g/mol:

1348.374817

ΔHf, kcal/mol:

420.71

Dipole, Da:

1.03

IP(EA), eV:

 -8.19(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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=CC8=C(C=C7)N=C(C(=N8)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