Geometry & MOs

Info

ID:	29793
PubChem CID:	837344
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	-155.68
Dipole, Da:	2.26
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

DOS

IR

Vibrations