Geometry & MOs

Info

ID:	282999
PubChem CID:	103952505
Reduced:	O3N4C9H10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	233.062283
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	3.12
IP(EA), eV:	-9.83(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-ylamino)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1C(CNC1=O)NC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations