Geometry & MOs

Info

ID:	127336
PubChem CID:	50998907
Reduced:	ClN2O2F3C14H16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	213.045964
ΔH_f, kcal/mol:	-238.94
Dipole, Da:	5.61
IP(EA), eV:	-9.07(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

DOS

IR

Vibrations