Geometry & MOs

Info

ID:	56457
PubChem CID:	17425508
Reduced:	N2S2O3H20C21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	2.09
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations