Geometry & MOs

Info

ID:

439839

PubChem CID:

135229682

Reduced:

NOSH43C66 (1)

Stoich.:

ABCD43E66 (1)

Weight, g/mol:

897.306536

ΔHf, kcal/mol:

226.01

Dipole, Da:

2.0

IP(EA), eV:

 -8.17(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-(3-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-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=C4C5=CC=CC=C5SC4=CC=C3)C6=CC=CC(=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C82C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations