Geometry & MOs

Info

ID:

440049

PubChem CID:

135229934

Reduced:

O15C79H140 (1)

Stoich.:

A15B79C140 (1)

Weight, g/mol:

1081.39198

ΔHf, kcal/mol:

-778.07

Dipole, Da:

6.26

IP(EA), eV:

 -10.15(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-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)fluoren-3-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COC(=O)CCCCCCCC2C(O2)CC3C(O3)CCCCC)OC)OC(=O)CCCCCCCC4C(O4)CCCCCCCC)OC(=O)CCCCCCCC5C(O5)CC6C(O6)CCCCC

DOS

IR

Vibrations