Geometry & MOs

Info

ID:

439850

PubChem CID:

135229693

Reduced:

NOH47C73 (1)

Stoich.:

ABC47D73 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

258.18

Dipole, Da:

1.64

IP(EA), eV:

 -7.98(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=CC2=C9C3=CC=CC=C3C22C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations