Geometry & MOs

Info

ID:	350540
PubChem CID:	127277902
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	5.79
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations