Geometry & MOs

Info

ID:

298044

PubChem CID:

117647369

Reduced:

F2O3N7C22H31 (1)

Stoich.:

A2B3C7D22E31 (1)

Weight, g/mol:

491.245644

ΔHf, kcal/mol:

-198.11

Dipole, Da:

4.5

IP(EA), eV:

 -8.63(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-3-fluoro-6-[[5-fluoro-6-(methylamino)pyridin-3-yl]amino]pyridin-2-yl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)NC)F)C(=O)N)F

DOS

IR

Vibrations