Geometry & MOs

Info

ID:	29772
PubChem CID:	837142
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	332.038627
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	2.58
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenoxypropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC2=C1N=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations