Geometry & MOs

Info

ID:	285424
PubChem CID:	104104337
Reduced:	ClNO2S2C11H14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-34.37
Dipole, Da:	2.73
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxazinan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CSCC2=CC=C(S2)Cl

DOS

IR

Vibrations