Geometry & MOs

Info

ID:	164905
PubChem CID:	74469301
Reduced:	FSO5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	484.179384
ΔH_f, kcal/mol:	-156.27
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.864399
Charge, e:	-1

Chem-info

IUPAC name:

1-[3-[3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)[O-])F)OC

DOS

IR

Vibrations