Geometry & MOs

Info

ID:	70336
PubChem CID:	48413208
Reduced:	ClSF2N2O3C15H17 (1)
Stoich.:	ABC2D2E3F15G17 (1)
Weight, g/mol:	326.110042
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	5.17
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations