Geometry & MOs

Info

ID:	344736
PubChem CID:	127268324
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	399.092263
ΔH_f, kcal/mol:	-179.94
Dipole, Da:	5.99
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(oxolan-2-ylmethylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNS(=O)(=O)C2=CC=CC3=C2OCCO3)N4CCOCC4

DOS

IR

Vibrations