Geometry & MOs

Info

ID:	70343
PubChem CID:	48413216
Reduced:	FSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-58.48
Dipole, Da:	6.1
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations