Geometry & MOs

Info

ID:	35364
PubChem CID:	7979767
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	392.122835
ΔH_f, kcal/mol:	-127.9
Dipole, Da:	3.7
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations