Geometry & MOs

Info

ID:	209252
PubChem CID:	80644082
Reduced:	ClNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	232.991342
ΔH_f, kcal/mol:	-112.39
Dipole, Da:	3.9
IP(EA), eV:	-9.37(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorothiophene-2-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)O)C(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations