Geometry & MOs

Info

ID:	358621
PubChem CID:	127296400
Reduced:	NSO2F3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	312.075548
ΔH_f, kcal/mol:	-258.67
Dipole, Da:	5.32
IP(EA), eV:	-8.76(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-oxo-1,4-thiazinane-4-carbonyl)-6-(trifluoromethyl)piperidin-2-one

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)C(=O)N2CCS(=O)CC2

DOS

IR

Vibrations