Geometry & MOs

Info

ID:

316487

PubChem CID:

126630995

Reduced:

O3N5H33C62 (1)

Stoich.:

A3B5C33D62 (1)

Weight, g/mol:

943.18981

ΔHf, kcal/mol:

253.05

Dipole, Da:

3.01

IP(EA), eV:

 -8.34(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[2,3-bis([1]benzothiolo[3,2-b]carbazol-11-yl)quinoxalin-5-yl]-[1]benzothiolo[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=CC5=C4N=C(C(=N5)N6C7=CC=CC=C7C8=C6C=C9C1=CC=CC=C1OC9=C8)N1C2=CC=CC=C2C2=C1C=C1C4=CC=CC=C4OC1=C2)C=C1C2=CC=CC=C2OC1=C3

DOS

IR

Vibrations