Geometry & MOs

Info

ID:

57555

PubChem CID:

22405518

Reduced:

F3N3O4H26C27 (1)

Stoich.:

A3B3C4D26E27 (1)

Weight, g/mol:

545.213756

ΔHf, kcal/mol:

-263.01

Dipole, Da:

4.48

IP(EA), eV:

 -8.46(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenylpyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)C(=O)CC2=CC=C(C=C2)N)C3=CC=CC=C3

DOS

IR

Vibrations