Geometry & MOs

Info

ID:

298034

PubChem CID:

117647322

Reduced:

FO4N9C27H36 (1)

Stoich.:

AB4C9D27E36 (1)

Weight, g/mol:

529.256129

ΔHf, kcal/mol:

-130.13

Dipole, Da:

9.49

IP(EA), eV:

 -8.56(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)N[C@H](C3CCC3)[C@H](C)NC(=O)OC(C)(C)C)N4C=CN=N4

DOS

IR

Vibrations