Geometry & MOs

Info

ID:

445442

PubChem CID:

135267071

Reduced:

ClSF4O5N8H37C39 (1)

Stoich.:

ABC4D5E8F37G39 (1)

Weight, g/mol:

404.138559

ΔHf, kcal/mol:

-215.23

Dipole, Da:

5.59

IP(EA), eV:

 -8.62(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=NN(C2=C1C(CC2(F)F)C=C)CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC(=N4)C#CC(C)(C)O)C5=C6C(=C(C=C5)Cl)C(=NN6C)NS(=O)(=O)C

DOS

IR

Vibrations