Geometry & MOs

Info

ID:	356652
PubChem CID:	127292071
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-90.44
Dipole, Da:	3.85
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)CC2(CCCCC2)CC(=O)NC3=NC=CS3

DOS

IR

Vibrations