Geometry & MOs

Info

ID:	348591
PubChem CID:	127273702
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	8.4
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations