Geometry & MOs

Info

ID:	348563
PubChem CID:	127273674
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-63.51
Dipole, Da:	9.16
IP(EA), eV:	-9.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2CC3=NS(=O)(=O)C4=CC=CC=C4N3)C)C

DOS

IR

Vibrations