Geometry & MOs

Info

ID:	348628
PubChem CID:	127273739
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	9.69
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)N(C)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations