Geometry & MOs

Info

ID:	317648
PubChem CID:	126644807
Reduced:	ClSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	333.022642
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	2.0
IP(EA), eV:	-9.24(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations