Geometry & MOs

Info

ID:	311781
PubChem CID:	126597688
Reduced:	F3O3N8H19C23 (1)
Stoich.:	A3B3C8D19E23 (1)
Weight, g/mol:	384.134617
ΔH_f, kcal/mol:	-107.9
Dipole, Da:	5.46
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-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)C(F)(F)F)C

DOS

IR

Vibrations