Geometry & MOs

Info

ID:

329118

PubChem CID:

126731318

Reduced:

OSN5H33C51 (1)

Stoich.:

ABC5D33E51 (1)

Weight, g/mol:

610.219118

ΔHf, kcal/mol:

233.16

Dipole, Da:

4.56

IP(EA), eV:

 -8.01(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC6=C(N5C7=CC=CC=C7)C=C8C(=C6)SC(=N8)C9=CC=C(C=C9)N1C2=CC=CC=C2OC2=CC=CC=C21

DOS

IR

Vibrations