Geometry & MOs

Info

ID:	260516
PubChem CID:	103194245
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	329.06009
ΔH_f, kcal/mol:	-116.23
Dipole, Da:	3.67
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)S(=O)(=O)CC2=CC=CC=C2N

DOS

IR

Vibrations