Geometry & MOs

Info

ID:	375004
PubChem CID:	131461485
Reduced:	BrFNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	207.0354
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	1.79
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzothiazol-6-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)F)C=CCN)Br

DOS

IR

Vibrations