Geometry & MOs

Info

ID:	26801
PubChem CID:	798537
Reduced:	FNSO2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	3.46
IP(EA), eV:	-9.61(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C1CSC(=O)[C@@H]1NC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations