Geometry & MOs

Info

ID:

311780

PubChem CID:

126597686

Reduced:

ClO3N9H18C23 (1)

Stoich.:

AB3C9D18E23 (1)

Weight, g/mol:

512.153221

ΔHf, kcal/mol:

81.59

Dipole, Da:

3.18

IP(EA), eV:

 -9.18(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[1-methyl-6-(trifluoromethyl)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](C(=O)N1CC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)Cl)CC#N

DOS

IR

Vibrations