Geometry & MOs

Info

ID:

377409

PubChem CID:

134223461

Reduced:

NOH18C30 (2)

Stoich.:

ABC18D30 (2)

Weight, g/mol:

846.2341

ΔHf, kcal/mol:

204.1

Dipole, Da:

0.47

IP(EA), eV:

 -8.08(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-dibenzothiophen-2-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C9=CC=CC=C9OC8=C7)C1=CC=CC(=C1)C1=CC=CC=C1)C1=C3C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations