Geometry & MOs

Info

ID:	21297
PubChem CID:	587875
Reduced:	SN2O3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	226.041213
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	5.61
IP(EA), eV:	-10.17(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-nitro-4,6-dihydro-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=N2)[N+](=O)[O-])C

DOS

IR

Vibrations