Geometry & MOs

Info

ID:	170108
PubChem CID:	75197574
Reduced:	FSO2N6C23H27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	456.16314
ΔH_f, kcal/mol:	0.9
Dipole, Da:	5.11
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methylphenyl)-5-[1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)SC3=NNC4N3C5CCCCC5C(=O)N4CC=C)F

DOS

IR

Vibrations