Geometry & MOs

Info

ID:	229299
PubChem CID:	87567359
Reduced:	ClOF3N3H21C23 (1)
Stoich.:	ABC3D3E21F23 (1)
Weight, g/mol:	314.072513
ΔH_f, kcal/mol:	-139.2
Dipole, Da:	7.75
IP(EA), eV:	-9.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1,3-benzothiazol-2-yl)-2-(4-hydroxyphenoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)N)N[C@@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations