Geometry & MOs

Info

ID:	370557
PubChem CID:	127339692
Reduced:	OF3N5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-143.51
Dipole, Da:	6.17
IP(EA), eV:	-9.26(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=C(C=N1)C(=O)N2CCC(CC2)C3=CN(N=C3)C)C(F)(F)F

DOS

IR

Vibrations