Geometry & MOs

Info

ID:

298067

PubChem CID:

117647436

Reduced:

FO4N8C25H31 (1)

Stoich.:

AB4C8D25E31 (1)

Weight, g/mol:

526.281615

ΔHf, kcal/mol:

-147.71

Dipole, Da:

3.43

IP(EA), eV:

 -8.66(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-2-[[5-carbamoyl-3-fluoro-6-[[5-(4-methylpyrazol-1-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-4-methylpentyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=CN=CC(=C2)NC3=NC(=C(C=C3C(=O)N)F)N[C@@H]4CCOC[C@@H]4NC(=O)OC(C)(C)C

DOS

IR

Vibrations