Geometry & MOs

Info

ID:

314107

PubChem CID:

126620422

Reduced:

NSH41C62 (1)

Stoich.:

ABC41D62 (1)

Weight, g/mol:

861.252393

ΔHf, kcal/mol:

258.29

Dipole, Da:

2.2

IP(EA), eV:

 -8.21(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,5-di(dibenzothiophen-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC4=C(C=C3)N(C=C4C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC1=C(C=C9)SC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations