Geometry & MOs

Info

ID:

189982

PubChem CID:

77936087

Reduced:

O3N8C45H56 (1)

Stoich.:

A3B8C45D56 (1)

Weight, g/mol:

504.082759

ΔHf, kcal/mol:

-41.43

Dipole, Da:

6.44

IP(EA), eV:

 -8.45(-0.13)

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-3H-1,7-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC3C4CCC(CC4NN3)C5=CC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)CC8=CC=CC=C8

DOS

IR

Vibrations