Geometry & MOs

Info

ID:	71272
PubChem CID:	48414555
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	6.95
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations