Geometry & MOs

Info

ID:	302641
PubChem CID:	124391270
Reduced:	NSCl2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	413.025535
ΔH_f, kcal/mol:	-93.97
Dipole, Da:	5.79
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](N[C@H](S1)C2=C(C=CC(=C2)Cl)OCC3=CC(=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations