Geometry & MOs

Info

ID:

439928

PubChem CID:

135229784

Reduced:

NO2H35C57 (1)

Stoich.:

AB2C35D57 (1)

Weight, g/mol:

897.306536

ΔHf, kcal/mol:

181.19

Dipole, Da:

2.35

IP(EA), eV:

 -8.17(-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-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=C2C3=CC=CC=C3OC2=CC=C1

DOS

IR

Vibrations