Geometry & MOs

Info

ID:	70317
PubChem CID:	48413178
Reduced:	SN2O2F4C15H16 (1)
Stoich.:	AB2C2D4E15F16 (1)
Weight, g/mol:	354.104956
ΔH_f, kcal/mol:	-206.07
Dipole, Da:	3.94
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-but-3-ynylpiperazin-1-yl)sulfonyl-4-fluorobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations