Geometry & MOs

Info

ID:	372614
PubChem CID:	131300794
Reduced:	ClIOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	230.072513
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	3.13
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-1,2-oxazol-5-yl)-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCl)CCC=O)I

DOS

IR

Vibrations