Geometry & MOs

Info

ID:	29803
PubChem CID:	837434
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	6.21
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CN=CC=C2

DOS

IR

Vibrations