Geometry & MOs

Info

ID:

298025

PubChem CID:

117647262

Reduced:

FO3N9C32H36 (1)

Stoich.:

AB3C9D32E36 (1)

Weight, g/mol:

493.260151

ΔHf, kcal/mol:

-28.9

Dipole, Da:

7.57

IP(EA), eV:

 -8.71(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C#N)F)N[C@@H]3CCC[C@H]([C@@H]3NC(=O)OC(C)(C)C)OCC4=CC=CC=C4)N5N=CC=N5

DOS

IR

Vibrations