Geometry & MOs

Info

ID:	302644
PubChem CID:	124391278
Reduced:	NSCl2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	399.069592
ΔH_f, kcal/mol:	-131.16
Dipole, Da:	6.61
IP(EA), eV:	-9.21(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]-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