Geometry & MOs

Info

ID:

439995

PubChem CID:

135229866

Reduced:

NOSH43C69 (1)

Stoich.:

ABCD43E69 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

258.34

Dipole, Da:

1.82

IP(EA), eV:

 -8.08(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-3-ylphenyl)-4-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

C1=CC=C(C=C1)C2=CC=CC=C2N(C3=CC=C(C=C3)C4=CC5=C(C=C4)SC6=CC=CC=C65)C7=CC=C(C=C7)C8=C9C1=CC=CC=C1C1(C9=CC=C8)C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations