Geometry & MOs

Info

ID:	36266
PubChem CID:	7983731
Reduced:	ClN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	398.049191
ΔH_f, kcal/mol:	-141.66
Dipole, Da:	7.08
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl (2S)-2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)[C@@H](C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations