Geometry & MOs

Info

ID:	359910
PubChem CID:	127299954
Reduced:	NS2O5C12H23 (1)
Stoich.:	AB2C5D12E23 (1)
Weight, g/mol:	399.092263
ΔH_f, kcal/mol:	-230.54
Dipole, Da:	7.6
IP(EA), eV:	-9.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(oxolan-3-ylmethylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

CCCN(C1CCS(=O)(=O)C1)S(=O)(=O)CC2CCOC2

DOS

IR

Vibrations