Geometry & MOs

Info

ID:	20089
PubChem CID:	579063
Reduced:	SN2O3H4C7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	195.994263
ΔH_f, kcal/mol:	-17.74
Dipole, Da:	1.95
IP(EA), eV:	-9.77(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)S2

DOS

IR

Vibrations