Geometry & MOs

Info

ID:	352229
PubChem CID:	127283311
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	343.117747
ΔH_f, kcal/mol:	-94.17
Dipole, Da:	4.54
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=CC=N2)CNC(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations