Geometry & MOs

Info

ID:	302643
PubChem CID:	124391277
Reduced:	NSCl2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	427.041185
ΔH_f, kcal/mol:	-132.64
Dipole, Da:	3.48
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-2-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)[C@H]2N[C@H](CS2)C(=O)O)Cl)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations