Geometry & MOs

Info

ID:	264873
PubChem CID:	103499742
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-185.46
Dipole, Da:	4.75
IP(EA), eV:	-10.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C1=O)CC2(CCC2)C(=O)O)C

DOS

IR

Vibrations