Geometry & MOs

Info

ID:	140529
PubChem CID:	52715485
Reduced:	NO5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	362.050733
ΔH_f, kcal/mol:	-228.88
Dipole, Da:	4.96
IP(EA), eV:	-9.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)[C@@H]3C[C@@H](CN3C(=O)C45CC6CC(C4)CC(C6)C5)O

DOS

IR

Vibrations