Geometry & MOs

Info

ID:

439917

PubChem CID:

135229773

Reduced:

NOSH43C66 (1)

Stoich.:

ABCD43E66 (1)

Weight, g/mol:

897.306536

ΔHf, kcal/mol:

225.27

Dipole, Da:

2.54

IP(EA), eV:

 -8.22(-0.67)

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]-4'-ylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=C5C6=CC=CC=C6C7(C5=CC=C4)C8=C(C9=CC=CC=C9C=C8)OC2=C7C=CC3=CC=CC=C32)C2=C3C4=CC=CC=C4SC3=CC=C2)C2=CC=CC=C21)C

DOS

IR

Vibrations