Geometry & MOs

Info

ID:	27892
PubChem CID:	824045
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	3.48
IP(EA), eV:	-8.38(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations