Geometry & MOs

Info

ID:	357208
PubChem CID:	127293712
Reduced:	SO3N4C17H30 (1)
Stoich.:	AB3C4D17E30 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-122.94
Dipole, Da:	6.81
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(1-piperidin-1-ylpropan-2-yl)butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CCCCC3

DOS

IR

Vibrations