Geometry & MOs

Info

ID:

442535

PubChem CID:

135252714

Reduced:

SO2N3H29C53 (1)

Stoich.:

AB2C3D29E53 (1)

Weight, g/mol:

627.242296

ΔHf, kcal/mol:

214.22

Dipole, Da:

1.86

IP(EA), eV:

 -8.05(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-methyl-9-[4-(1,8-naphthyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC(=C(C(=C4)C#N)C5=CC=C(C=C5)C6=CC7=C(C=C6)SC8=CC9=C(C=C87)N(C1=CC=CC=C19)C1=CC=CC=C1)C#N

DOS

IR

Vibrations