Geometry & MOs

Info

ID:	294679
PubChem CID:	117480928
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-148.39
Dipole, Da:	4.02
IP(EA), eV:	-8.81(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[2-(1,3-benzothiazol-2-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C2CC(CN2)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations