Geometry & MOs

Info

ID:	302642
PubChem CID:	124391274
Reduced:	NSCl2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	427.041185
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	3.91
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)[C@@H]2N[C@@H](CS2)C(=O)O)Cl)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations