Geometry & MOs

Info

ID:	348635
PubChem CID:	127273746
Reduced:	O2S2N4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-18.58
Dipole, Da:	8.34
IP(EA), eV:	-9.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2CCCCN2CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations