Geometry & MOs

Info

ID:	79586
PubChem CID:	49829628
Reduced:	Cl2N2O3H16C20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	4.34
IP(EA), eV:	-9.33(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-(4-cyanophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=C(C=CC(=C2Cl)C)Cl

DOS

IR

Vibrations