Geometry & MOs

Info

ID:	140818
PubChem CID:	52767570
Reduced:	ClFSN2O3C16H22 (1)
Stoich.:	ABCD2E3F16G22 (1)
Weight, g/mol:	301.104445
ΔH_f, kcal/mol:	-181.49
Dipole, Da:	2.67
IP(EA), eV:	-9.49(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-(pyrrolidin-1-ium-1-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations