Geometry & MOs

Info

ID:	311754
PubChem CID:	126597634
Reduced:	ClFO3N7H21C22 (1)
Stoich.:	ABC3D7E21F22 (1)
Weight, g/mol:	402.125195
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	5.41
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC[C@@H](C1)F)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)Cl)C

DOS

IR

Vibrations