Geometry & MOs

Info

ID:

297264

PubChem CID:

117614284

Reduced:

SO2F3N6C25H29 (1)

Stoich.:

AB2C3D6E25F29 (1)

Weight, g/mol:

468.202222

ΔHf, kcal/mol:

-135.58

Dipole, Da:

5.6

IP(EA), eV:

 -8.92(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[[1-[(1S,2S)-2-cyanocyclohexyl]-4-oxo-2H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]methyl]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@](=O)N[C@H](C1=CC(=CC=C1)NC2=C3C(=CC=NC3=O)N(N2)[C@H]4CCCC[C@@H]4C#N)C(F)(F)F

DOS

IR

Vibrations