Geometry & MOs

Info

ID:	61264
PubChem CID:	26707566
Reduced:	ClSN2O3F4H13C17 (1)
Stoich.:	ABC2D3E4F13G17 (1)
Weight, g/mol:	498.098489
ΔH_f, kcal/mol:	-250.75
Dipole, Da:	4.78
IP(EA), eV:	-9.56(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations