Geometry & MOs

Info

ID:	8307
PubChem CID:	76256
Reduced:	SN2O2H4C7 (1)
Stoich.:	AB2C2D4E7 (1)
Weight, g/mol:	179.999349
ΔH_f, kcal/mol:	48.25
Dipole, Da:	4.43
IP(EA), eV:	-9.81(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])SC=N2

DOS

IR

Vibrations