Geometry & MOs

Info

ID:

377649

PubChem CID:

134223713

Reduced:

O2N5H65C105 (1)

Stoich.:

A2B5C65D105 (1)

Weight, g/mol:

1343.395018

ΔHf, kcal/mol:

398.63

Dipole, Da:

1.2

IP(EA), eV:

 -7.79(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-9-[5-phenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-[1]benzothiolo[3,2-c]carbazol-8-yl]-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C=CC(=C5)C6=CC7=C(C=C6)N(C8=C7C9=C(C=C8)C1=C(O9)C=CC(=C1)C1=CC(=CC=C1)N1C2=C(C3=CC=CC=C31)C1=C(C=C2)N(C2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C1=C2C2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations