Geometry & MOs

Info

ID:

298032

PubChem CID:

117647318

Reduced:

FO4N9C26H34 (1)

Stoich.:

AB4C9D26E34 (1)

Weight, g/mol:

555.271779

ΔHf, kcal/mol:

-116.63

Dipole, Da:

9.72

IP(EA), eV:

 -8.49(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)N[C@H](C3CC3)[C@H](C)NC(=O)OC(C)(C)C)N4C=CN=N4

DOS

IR

Vibrations