Geometry & MOs

Info

ID:

437207

PubChem CID:

135215902

Reduced:

F3O3N4H25C31 (1)

Stoich.:

A3B3C4D25E31 (1)

Weight, g/mol:

477.197631

ΔHf, kcal/mol:

-173.43

Dipole, Da:

5.93

IP(EA), eV:

 -9.51(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)pyridin-2-yl]ethyl]-2-[methyl(methylamino)amino]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(N[C@@H](CC3=CC(=CC(=C3)F)F)C4=C(C=CC=N4)C5=CC(=C(C=C5)F)C(=O)N)O

DOS

IR

Vibrations