Geometry & MOs

Info

ID:	167822
PubChem CID:	74883580
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	8.5
IP(EA), eV:	-9.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridin-4-ylethanone

Drug info:

PubChemData

Smile

C1CN(C2C1CNC2)C(=O)C3CSC(=O)N3

DOS

IR

Vibrations