Geometry & MOs

Info

ID:	227827
PubChem CID:	87562607
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	431.108582
ΔH_f, kcal/mol:	-27.71
Dipole, Da:	5.59
IP(EA), eV:	-8.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[5-(piperidin-3-ylsulfamoyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N=C2/C(=C(\N)/NO)/C=CS2

DOS

IR

Vibrations