Geometry & MOs

Info

ID:

439749

PubChem CID:

135229569

Reduced:

S2N3C14H21 (1)

Stoich.:

A2B3C14D21 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

52.72

Dipole, Da:

3.44

IP(EA), eV:

 -8.45(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-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)aniline

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=S)C2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations