Geometry & MOs

Info

ID:

377279

PubChem CID:

134223326

Reduced:

N2O2H36C57 (1)

Stoich.:

A2B2C36D57 (1)

Weight, g/mol:

846.2341

ΔHf, kcal/mol:

171.71

Dipole, Da:

2.65

IP(EA), eV:

 -7.96(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=CC2=C(C=C1)OC1=CC=CC=C12)C

DOS

IR

Vibrations