Geometry & MOs

Info

ID:	348606
PubChem CID:	127273717
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	323.130363
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	8.64
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CC2CC1CN2CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations