Geometry & MOs

Info

ID:	56389
PubChem CID:	17425292
Reduced:	SO3N5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	458.112327
ΔH_f, kcal/mol:	11.11
Dipole, Da:	5.92
IP(EA), eV:	-8.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations