Geometry & MOs

Info

ID:

297985

PubChem CID:

117644533

Reduced:

F3O3N7H24C25 (1)

Stoich.:

A3B3C7D24E25 (1)

Weight, g/mol:

527.189272

ΔHf, kcal/mol:

-146.02

Dipole, Da:

7.35

IP(EA), eV:

 -8.58(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S)-1-[[5-cyano-3-fluoro-6-[(5-fluoro-6-morpholin-4-ylpyridin-3-yl)amino]pyridin-2-yl]amino]-1-(2-fluorophenyl)propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1F)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)N4CCOCC4)F)C#N)F)NC(=O)O

DOS

IR

Vibrations