Geometry & MOs

Info

ID:	302640
PubChem CID:	124391244
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	383.01497
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	3.67
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations