Geometry & MOs

Info

ID:

298065

PubChem CID:

117647434

Reduced:

ClFO3N8C24H30 (1)

Stoich.:

ABC3D8E24F30 (1)

Weight, g/mol:

538.281615

ΔHf, kcal/mol:

-116.76

Dipole, Da:

7.25

IP(EA), eV:

 -8.87(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-carbamoyl-3-fluoro-6-[[5-(4-methylpyrazol-1-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-1-cyclobutylpropan-2-yl]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(=CN=C2)N3C=C(C=N3)Cl)C(=O)N)F

DOS

IR

Vibrations