Geometry & MOs

Info

ID:	348622
PubChem CID:	127273733
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	8.42
IP(EA), eV:	-8.81(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-oxazepan-4-ylmethyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations