Geometry & MOs

Info

ID:	311729
PubChem CID:	126597561
Reduced:	FO4N8C28H29 (1)
Stoich.:	AB4C8D28E29 (1)
Weight, g/mol:	444.165837
ΔH_f, kcal/mol:	-55.7
Dipole, Da:	3.59
IP(EA), eV:	-8.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylindazol-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](COC)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)F)CC5=CN=C(C=C5)N6CCOCC6

DOS

IR

Vibrations