Geometry & MOs

Info

ID:	362480
PubChem CID:	127308019
Reduced:	BrSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	258.140199
ΔH_f, kcal/mol:	22.84
Dipole, Da:	4.13
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-oxo-1,4-thiazinan-4-yl)-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=NOC(=N2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations