Geometry & MOs

Info

ID:	293212
PubChem CID:	117376712
Reduced:	FNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	3.09
IP(EA), eV:	-9.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-propan-2-yl-1,3-benzothiazol-6-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCN)F

DOS

IR

Vibrations