Geometry & MOs

Info

ID:

439856

PubChem CID:

135229699

Reduced:

NOH31C51 (1)

Stoich.:

ABC31D51 (1)

Weight, g/mol:

933.306536

ΔHf, kcal/mol:

184.61

Dipole, Da:

1.57

IP(EA), eV:

 -8.18(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=C(C=C(C=C6)C7=CC=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C51)C=CC1=CC=CC=C14

DOS

IR

Vibrations