Geometry & MOs

Info

ID:	348620
PubChem CID:	127273731
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	8.89
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations