Geometry & MOs

Info

ID:	294680
PubChem CID:	117480933
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	6.23
IP(EA), eV:	-9.49(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(CN)C(=O)O

DOS

IR

Vibrations