Geometry & MOs

Info

ID:	348677
PubChem CID:	127273788
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-81.43
Dipole, Da:	8.33
IP(EA), eV:	-9.38(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCCCC1NS(=O)(=O)C2=CN(C(=N2)C)C

DOS

IR

Vibrations