Geometry & MOs

Info

ID:	172478
PubChem CID:	75513219
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	290.072513
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	3.8
IP(EA), eV:	-9.45(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)C(=O)NC(CC(=O)O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations