Geometry & MOs

Info

ID:

442530

PubChem CID:

135252708

Reduced:

SO2N3H31C47 (1)

Stoich.:

AB2C3D31E47 (1)

Weight, g/mol:

680.218781

ΔHf, kcal/mol:

150.88

Dipole, Da:

5.27

IP(EA), eV:

 -8.24(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-(1,8-naphthyridin-4-yl)phenyl]-5-phenyl-2-[2-(trifluoromethyl)phenyl]indolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C=C8C(=C7)C9=CC=CC=C9N8C1=CC=CC=C1

DOS

IR

Vibrations