Geometry & MOs

Info

ID:

298033

PubChem CID:

117647321

Reduced:

FO4N9C26H34 (1)

Stoich.:

AB4C9D26E34 (1)

Weight, g/mol:

569.287429

ΔHf, kcal/mol:

-124.32

Dipole, Da:

9.58

IP(EA), eV:

 -8.52(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1CCC1)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)OC)N4C=CN=N4)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations