Geometry & MOs

Info

ID:	309455
PubChem CID:	126546365
Reduced:	FSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	451.128981
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	5.04
IP(EA), eV:	-9.56(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylpiperazine-1-sulfinamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N(CC1=C(C=C(C=C1)C(=O)OC)F)C2=CC=CC=C2

DOS

IR

Vibrations