Geometry & MOs

Info

ID:	305505
PubChem CID:	124957866
Reduced:	S2N3O3C13H21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	-97.46
Dipole, Da:	7.15
IP(EA), eV:	-8.65(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CN(CCN(C1)S(=O)(=O)C)CC2=CSC=C2

DOS

IR

Vibrations