Geometry & MOs

Info

ID:

299010

PubChem CID:

117667471

Reduced:

ClS2N3O5F6H26C29 (1)

Stoich.:

AB2C3D5E6F26G29 (1)

Weight, g/mol:

417.18009

ΔHf, kcal/mol:

-440.06

Dipole, Da:

4.09

IP(EA), eV:

 -9.54(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]pyridin-3-yl]-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(C3C(=O)O)SC(=C4)Cl)OC5=CSC(=C5)C(F)(F)F

DOS

IR

Vibrations