Geometry & MOs

Info

ID:	207497
PubChem CID:	80404696
Reduced:	ClSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-12.32
Dipole, Da:	5.78
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(tert-butylamino)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)NC2=C(C=CC(=C2)C#N)Cl)N

DOS

IR

Vibrations