Geometry & MOs

Info

ID:

80220

PubChem CID:

49833628

Reduced:

ClSO3F4N6H33C34 (1)

Stoich.:

ABC3D4E6F33G34 (1)

Weight, g/mol:

595.124958

ΔHf, kcal/mol:

-227.48

Dipole, Da:

7.64

IP(EA), eV:

 -8.49(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]-4-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC(=N3)N4CCN(CC4)CC5=CC=CC=C5Cl)C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations