Geometry & MOs

Info

ID:	36013
PubChem CID:	7980638
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	388.124549
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	4.88
IP(EA), eV:	-8.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C

DOS

IR

Vibrations