Geometry & MOs

Info

ID:	309456
PubChem CID:	126546374
Reduced:	SO2F3N5C20H20 (1)
Stoich.:	AB2C3D5E20F20 (1)
Weight, g/mol:	469.119559
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	4.85
IP(EA), eV:	-8.69(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfinamide

Drug info:

PubChemData

Smile

C1CN(CCN1)S(=O)N(CC2=C(C=C(C=C2)C3=NN=C(O3)C(F)F)F)C4=CC=CC=C4

DOS

IR

Vibrations