Geometry & MOs

Info

ID:

437206

PubChem CID:

135215900

Reduced:

OF3N3H11C14 (2)

Stoich.:

AB3C3D11E14 (2)

Weight, g/mol:

558.187875

ΔHf, kcal/mol:

-244.89

Dipole, Da:

9.77

IP(EA), eV:

 -9.51(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[1-hydroxy-2-(2-oxo-1H-quinolin-4-yl)ethyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C=NCC1=CN(N=C1C(F)(F)F)CC(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)C3=C(C=CC=N3)C4=CC(=C(C=C4)F)C(=O)N

DOS

IR

Vibrations