Geometry & MOs

Info

ID:	319169
PubChem CID:	126655253
Reduced:	SF3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	402.124052
ΔH_f, kcal/mol:	-250.12
Dipole, Da:	1.54
IP(EA), eV:	-8.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[5-oxo-4-[3-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1C2CC3C4C1C5CC(C4)CC3(C5C2)C(=O)OCC(C(F)(F)S(=O)(=O)O)F

DOS

IR

Vibrations