Geometry & MOs

Info

ID:

442534

PubChem CID:

135252712

Reduced:

NSO4H31C39 (1)

Stoich.:

ABC4D31E39 (1)

Weight, g/mol:

771.198048

ΔHf, kcal/mol:

-28.55

Dipole, Da:

9.32

IP(EA), eV:

 -7.9(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-oxo-2-phenylchromen-8-yl)-2-[4-(11-phenyl-[1]benzothiolo[3,2-b]carbazol-2-yl)phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1CC2=CC(=CC3=C2N(C1)CCC3)C4=CC=C(C=C4)C5=CC=C(C=C5)S(=O)(=O)C6=CC=CC7=C6OC(=CC7=O)C8=CC=CC=C8

DOS

IR

Vibrations