Geometry & MOs

Info

ID:	194411
PubChem CID:	78531357
Reduced:	NCl2O6H11C17 (1)
Stoich.:	AB2C6D11E17 (1)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	-103.64
Dipole, Da:	4.51
IP(EA), eV:	-9.63(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations