Geometry & MOs

Info

ID:	321497
PubChem CID:	126666406
Reduced:	ClF3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	199.030314
ΔH_f, kcal/mol:	-144.03
Dipole, Da:	1.65
IP(EA), eV:	-9.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C(=C/C)/C(=C\C=C)/C1=C(C=CC(=C1)Cl)CCC(F)(F)F

DOS

IR

Vibrations