Geometry & MOs

Info

ID:

298039

PubChem CID:

117647333

Reduced:

FO4N7C25H32 (1)

Stoich.:

AB4C7D25E32 (1)

Weight, g/mol:

517.224909

ΔHf, kcal/mol:

-166.41

Dipole, Da:

5.75

IP(EA), eV:

 -8.37(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations