Geometry & MOs

Info

ID:

188237

PubChem CID:

77686899

Reduced:

ClN2O4C22H29 (1)

Stoich.:

AB2C4D22E29 (1)

Weight, g/mol:

590.155924

ΔHf, kcal/mol:

-178.7

Dipole, Da:

7.93

IP(EA), eV:

 -9.24(-0.31)

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]-1-(1-hydroxy-3-methylbutan-2-yl)-4-oxo-1,7-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNCCCCC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O.Cl

DOS

IR

Vibrations