Geometry & MOs

Info

ID:	136052
PubChem CID:	51971793
Reduced:	ClN4O4H21C22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	371.142939
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	2.79
IP(EA), eV:	-8.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexyl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC)NC(=O)N2CCC3=C([C@@H]2C4=CC=C(C=C4)Cl)N=CN3

DOS

IR

Vibrations