Geometry & MOs

Info

ID:

299006

PubChem CID:

117667446

Reduced:

ClS2N4F6O6C34H35 (1)

Stoich.:

AB2C4D6E6F34G35 (1)

Weight, g/mol:

429.156767

ΔHf, kcal/mol:

-513.62

Dipole, Da:

8.08

IP(EA), eV:

 -9.53(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-(1-acetylpiperidin-4-yl)oxypyridin-3-yl]-5-chloro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@](CCCN1C(=O)C2=C(C=CC=N2)C(F)(F)F)(C(=O)N3CCC4=C(C3CCC(=O)NS(=O)(=O)C)C=CC(=C4)Cl)OC5=CSC(=C5)C(F)(F)F

DOS

IR

Vibrations