Geometry & MOs

Info

ID:

311748

PubChem CID:

126597625

Reduced:

ClO3N7C23H24 (1)

Stoich.:

AB3C7D23E24 (1)

Weight, g/mol:

508.137429

ΔHf, kcal/mol:

-22.2

Dipole, Da:

5.14

IP(EA), eV:

 -8.47(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N1CCCC1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)Cl)C

DOS

IR

Vibrations