Geometry & MOs

Info

ID:	29149
PubChem CID:	831971
Reduced:	NOSCl2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	285.067094
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	5.47
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations