Geometry & MOs

Info

ID:	47948
PubChem CID:	10535980
Reduced:	ClN2H3O3C7 (1)
Stoich.:	AB2C3D3E7 (1)
Weight, g/mol:	199.0667
ΔH_f, kcal/mol:	3.68
Dipole, Da:	5.56
IP(EA), eV:	-10.57(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-propan-2-yl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])O)Cl)C#N

DOS

IR

Vibrations