Geometry & MOs

Info

ID:	285405
PubChem CID:	104104235
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	245.066363
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	3.07
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxazinan-2-yl-(2,4,6-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)N2CCCCO2

DOS

IR

Vibrations