Geometry & MOs

Info

ID:	70326
PubChem CID:	48413192
Reduced:	ClFSN2O2C14H16 (1)
Stoich.:	ABCD2E2F14G16 (1)
Weight, g/mol:	356.086449
ΔH_f, kcal/mol:	-49.63
Dipole, Da:	4.51
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(3-methylsulfonylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations