Geometry & MOs

Info

ID:	348589
PubChem CID:	127273700
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	8.75
IP(EA), eV:	-9.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations