Geometry & MOs

Info

ID:	6540
PubChem CID:	68834
Reduced:	ClNSO4C14H16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	329.048857
ΔH_f, kcal/mol:	-154.31
Dipole, Da:	4.65
IP(EA), eV:	-9.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenoxy)-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CSCC1C(=O)O)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations