Geometry & MOs

Info

ID:	348610
PubChem CID:	127273721
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	9.29
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations