Geometry & MOs

Info

ID:	373000
PubChem CID:	131308455
Reduced:	INO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	5.15
IP(EA), eV:	-8.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-1,3-benzothiazol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C[C@@H](CO2)N)I

DOS

IR

Vibrations