Geometry & MOs

Info

ID:	260517
PubChem CID:	103194285
Reduced:	ClSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	296.094312
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	4.67
IP(EA), eV:	-9.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-aminopyridin-3-yl)sulfonyl-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)S(=O)(=O)C3=C(C=CC=C3Cl)N

DOS

IR

Vibrations