Geometry & MOs

Info

ID:	348615
PubChem CID:	127273726
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	8.44
IP(EA), eV:	-9.33(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NCC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations