Geometry & MOs

Info

ID:

312480

PubChem CID:

126605663

Reduced:

OSF3N6H17C18 (1)

Stoich.:

ABC3D6E17F18 (1)

Weight, g/mol:

520.2102

ΔHf, kcal/mol:

-67.4

Dipole, Da:

2.29

IP(EA), eV:

 -8.94(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[C-[4-chloro-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CN(C2=NC=C(N=C12)C(=N)C3=C(C=C(C=C3F)F)NC)SF

DOS

IR

Vibrations