Geometry & MOs

Info

ID:	371697
PubChem CID:	131270664
Reduced:	NSCl2F3O3H4C7 (1)
Stoich.:	ABC2D3E3F4G7 (1)
Weight, g/mol:	213.063722
ΔH_f, kcal/mol:	-261.85
Dipole, Da:	8.49
IP(EA), eV:	-9.5(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxycarbonyl-3-ethyl-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1N)Cl)S(=O)(=O)Cl)OC(F)(F)F

DOS

IR

Vibrations