Geometry & MOs

Info

ID:	329825
PubChem CID:	127246692
Reduced:	FSO2N3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	3.46
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations