Geometry & MOs

Info

ID:	70312
PubChem CID:	48413171
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	357.055005
ΔH_f, kcal/mol:	24.13
Dipole, Da:	3.92
IP(EA), eV:	-8.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2-chloro-4-nitrophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C#N

DOS

IR

Vibrations