Geometry & MOs

Info

ID:	153396
PubChem CID:	56312584
Reduced:	FSO2N5C25H28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-18.79
Dipole, Da:	3.33
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations