Geometry & MOs

Info

ID:

298072

PubChem CID:

117647442

Reduced:

FO3N9C26H34 (1)

Stoich.:

AB3C9D26E34 (1)

Weight, g/mol:

475.234331

ΔHf, kcal/mol:

-103.77

Dipole, Da:

7.06

IP(EA), eV:

 -8.65(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(N=C1C)C2=CN=CC(=C2)NC3=NC(=C(C=C3C(=O)N)F)N[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C

DOS

IR

Vibrations