Geometry & MOs

Info

ID:

448811

PubChem CID:

135293744

Reduced:

NH21C28 (2)

Stoich.:

AB21C28 (2)

Weight, g/mol:

692.22862

ΔHf, kcal/mol:

234.46

Dipole, Da:

1.03

IP(EA), eV:

 -7.9(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-phenyl-2-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-ylphenyl)-2H-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1C=CC2=C(C1C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6)C7(C8=CC=CC=C28)C9=CC=CC=C9N(C1=CC=CC=C71)C1=CC=CC=C1

DOS

IR

Vibrations