Geometry & MOs

Info

ID:	353917
PubChem CID:	127285557
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-83.03
Dipole, Da:	6.01
IP(EA), eV:	-9.54(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonylpiperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCCC1NS(=O)(=O)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations