Geometry & MOs

Info

ID:	317621
PubChem CID:	126644358
Reduced:	ClN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	360.041607
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	2.44
IP(EA), eV:	-9.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[(6-nitro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations