Geometry & MOs

Info

ID:	329904
PubChem CID:	127246771
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-24.69
Dipole, Da:	4.47
IP(EA), eV:	-8.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations