Geometry & MOs

Info

ID:	64255
PubChem CID:	29198717
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	3.11
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations