Geometry & MOs

Info

ID:	358620
PubChem CID:	127296399
Reduced:	NSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	297.101034
ΔH_f, kcal/mol:	-115.28
Dipole, Da:	4.84
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-1,4-thiazinan-4-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations