Geometry & MOs

Info

ID:

440064

PubChem CID:

135229949

Reduced:

NOSH43C69 (1)

Stoich.:

ABCD43E69 (1)

Weight, g/mol:

897.306536

ΔHf, kcal/mol:

257.66

Dipole, Da:

1.04

IP(EA), eV:

 -8.0(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-yl)-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]-2'-ylphenyl)dibenzothiophen-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)SC6=CC=CC=C65)C7=CC=C(C=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations