Geometry & MOs

Info

ID:

298270

PubChem CID:

117648189

Reduced:

FO4N6C27H31 (1)

Stoich.:

AB4C6D27E31 (1)

Weight, g/mol:

502.270382

ΔHf, kcal/mol:

-136.45

Dipole, Da:

8.31

IP(EA), eV:

 -8.77(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3S,4R)-4-[[5-cyano-3-fluoro-6-[[2-(2-methoxyethoxy)pyridin-4-yl]amino]pyridin-2-yl]amino]hexan-3-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations