Geometry & MOs

Info

ID:

439945

PubChem CID:

135229801

Reduced:

NOH43C70 (1)

Stoich.:

ABC43D70 (1)

Weight, g/mol:

781.243936

ΔHf, kcal/mol:

269.77

Dipole, Da:

1.6

IP(EA), eV:

 -8.15(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C84)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations