Geometry & MOs

Info

ID:	154414
PubChem CID:	56313845
Reduced:	SN2F3O5C19H21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	491.142739
ΔH_f, kcal/mol:	-321.25
Dipole, Da:	7.8
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=CC=C(C=C2)CS(=O)(=O)N)OCC(F)(F)F

DOS

IR

Vibrations