Geometry & MOs

Info

ID:

80151

PubChem CID:

49833257

Reduced:

Cl2N3O3C31H33 (1)

Stoich.:

A2B3C3D31E33 (1)

Weight, g/mol:

606.179773

ΔHf, kcal/mol:

-68.22

Dipole, Da:

3.71

IP(EA), eV:

 -8.71(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)pyridin-3-yl]-1-[(1-methylimidazol-4-yl)methyl]-4-oxo-1,7-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)CCCOC1=CC=C(C=C1)C2C3=C(CCN2C(=O)OC4=CC=C(C=C4)Cl)C5=C(N3)C=CC(=C5)Cl

DOS

IR

Vibrations