Geometry & MOs

Info

ID:

298042

PubChem CID:

117647353

Reduced:

FN5O5C25H34 (1)

Stoich.:

AB5C5D25E34 (1)

Weight, g/mol:

563.303159

ΔHf, kcal/mol:

-223.27

Dipole, Da:

5.27

IP(EA), eV:

 -8.54(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-carbamoyl-3-fluoro-6-[(5-fluoro-2-morpholin-4-ylpyridin-4-yl)amino]pyridin-2-yl]amino]-5-methylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1CC1)NC(=O)OC(C)(C)C)NC2=C(C=C(C(=N2)NC3=CC(=CC(=C3)OC)OC)C(=O)N)F

DOS

IR

Vibrations