Geometry & MOs

Info

ID:	347772
PubChem CID:	127272834
Reduced:	FSN3O4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	335.110376
ΔH_f, kcal/mol:	-174.19
Dipole, Da:	2.53
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)sulfonyl-4-methyl-2-phenylpiperazine

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations