Geometry & MOs

Info

ID:	260518
PubChem CID:	103194296
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	313.089641
ΔH_f, kcal/mol:	-90.77
Dipole, Da:	6.55
IP(EA), eV:	-9.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-5-fluorophenyl)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=CN=C(C=C3)N

DOS

IR

Vibrations