Geometry & MOs

Info

ID:	70353
PubChem CID:	48413230
Reduced:	SF2N2O2C14H16 (1)
Stoich.:	AB2C2D2E14F16 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-93.47
Dipole, Da:	3.71
IP(EA), eV:	-8.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-but-3-ynylpiperazin-1-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations