Geometry & MOs

Info

ID:	64533
PubChem CID:	29202784
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	2.89
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)CCN1C(=O)CSC2=CC=CC=C21

DOS

IR

Vibrations