Geometry & MOs

Info

ID:

298222

PubChem CID:

117648075

Reduced:

N5H37C55 (1)

Stoich.:

A5B37C55 (1)

Weight, g/mol:

789.249021

ΔHf, kcal/mol:

288.21

Dipole, Da:

0.79

IP(EA), eV:

 -7.72(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9'-[10-(4-methylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2'-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=C2C8=C(N7C9=CC=C(C=C9)C1=CC=CC=N1)C=CC(=C8)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations