Geometry & MOs

Info

ID:	311735
PubChem CID:	126597595
Reduced:	SN3O5C12H21 (1)
Stoich.:	AB3C5D12E21 (1)
Weight, g/mol:	448.140765
ΔH_f, kcal/mol:	-211.23
Dipole, Da:	7.34
IP(EA), eV:	-9.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoroimidazo[1,5-a]pyridin-1-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

CCN(C[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N(C)C)O)O)C(=O)O

DOS

IR

Vibrations