Geometry & MOs

Info

ID:

297263

PubChem CID:

117614283

Reduced:

O2N5C21H23 (1)

Stoich.:

A2B5C21D23 (1)

Weight, g/mol:

534.20248

ΔHf, kcal/mol:

20.64

Dipole, Da:

9.28

IP(EA), eV:

 -8.89(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(S)-N-[(1R)-1-[3-[[1-[(1S,2S)-2-cyanocyclohexyl]-4-oxo-2H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations