Geometry & MOs

Info

ID:	314741
PubChem CID:	126622928
Reduced:	ClON3F4C12H20 (1)
Stoich.:	ABC3D4E12F20 (1)
Weight, g/mol:	307.108068
ΔH_f, kcal/mol:	-303.81
Dipole, Da:	7.91
IP(EA), eV:	-9.2(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-2-[(1-methylpyrazolo[3,4-b]pyridin-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)[C@@H]2C[C@H](CN2)F)CC(F)(F)F.Cl

DOS

IR

Vibrations