Geometry & MOs

Info

ID:	285387
PubChem CID:	104104154
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	261.061278
ΔH_f, kcal/mol:	-113.88
Dipole, Da:	3.13
IP(EA), eV:	-9.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxazinan-2-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCCO2

DOS

IR

Vibrations