Geometry & MOs

Info

ID:

311738

PubChem CID:

126597600

Reduced:

FO2N7H18C22 (1)

Stoich.:

AB2C7D18E22 (1)

Weight, g/mol:

508.137429

ΔHf, kcal/mol:

28.79

Dipole, Da:

3.23

IP(EA), eV:

 -8.66(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-1-(3-cyanoazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=N1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations