Geometry & MOs

Info

ID:	70333
PubChem CID:	48413205
Reduced:	ClSN3O4C16H18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	3.81
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

DOS

IR

Vibrations