Geometry & MOs

Info

ID:	280204
PubChem CID:	103847564
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	7.14
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)NC2=CC=CC(=C2)C#N)O

DOS

IR

Vibrations