Geometry & MOs

Info

ID:	29848
PubChem CID:	837770
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	3.3
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations