Geometry & MOs

Info

ID:	35366
PubChem CID:	7979772
Reduced:	ClF2N2O5H11C15 (1)
Stoich.:	AB2C2D5E11F15 (1)
Weight, g/mol:	404.122835
ΔH_f, kcal/mol:	-186.92
Dipole, Da:	4.57
IP(EA), eV:	-9.22(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC(F)F

DOS

IR

Vibrations