Geometry & MOs

Info

ID:	8304
PubChem CID:	76250
Reduced:	SN2O2H6C8 (1)
Stoich.:	AB2C2D6E8 (1)
Weight, g/mol:	194.014999
ΔH_f, kcal/mol:	34.26
Dipole, Da:	5.91
IP(EA), eV:	-9.71(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-nitro-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations