Geometry & MOs

Info

ID:	27524
PubChem CID:	821797
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	206.051384
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	4.83
IP(EA), eV:	-9.33(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzothiazol-3-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@H](CC(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations