Geometry & MOs

Info

ID:	232736
PubChem CID:	87576843
Reduced:	NO2Cl3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	319.044919
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	1.75
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(methylsulfonylmethyl)pyridin-3-yl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C2=CC=C(C=C2)C(C=O)(C3=CC(=C(C=C3)Cl)Cl)N.Cl

DOS

IR

Vibrations