Geometry & MOs

Info

ID:	129707
PubChem CID:	51073611
Reduced:	ClOSN3C17H18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	16.96
Dipole, Da:	3.56
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylacetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CS1)NCC2=CC(=O)N3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations