Geometry & MOs

Info

ID:

298036

PubChem CID:

117647328

Reduced:

FO5N9C27H38 (1)

Stoich.:

AB5C9D27E38 (1)

Weight, g/mol:

573.282343

ΔHf, kcal/mol:

-177.9

Dipole, Da:

5.55

IP(EA), eV:

 -8.53(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)OCCOC)N3N=CC=N3)C(=O)N)F

DOS

IR

Vibrations