Geometry & MOs

Info

ID:	302645
PubChem CID:	124391280
Reduced:	ClNSO3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	399.069592
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	4.73
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](N[C@@H](S1)C2=C(C=CC3=CC=CC=C32)OCC4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations