Geometry & MOs

Info

ID:	268114
PubChem CID:	103597933
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	393.095869
ΔH_f, kcal/mol:	-46.15
Dipole, Da:	3.23
IP(EA), eV:	-8.3(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations