Geometry & MOs

Info

ID:	370888
PubChem CID:	127341212
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	6.01
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CCOC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations