Geometry & MOs

Info

ID:	344720
PubChem CID:	127268308
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	388.112664
ΔH_f, kcal/mol:	-207.93
Dipole, Da:	3.89
IP(EA), eV:	-8.23(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)S(=O)(=O)CC3CCCCC3

DOS

IR

Vibrations