Geometry & MOs

Info

ID:	46055
PubChem CID:	10520837
Reduced:	SF3O7C10H15 (1)
Stoich.:	AB3C7D10E15 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-458.45
Dipole, Da:	2.85
IP(EA), eV:	-10.39(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-hydroxy-1-[1-(2-phenylethyl)piperidin-4-yl]-3-pyridin-3-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@@H](C[C@@H](O1)OC)OS(=O)(=O)C(F)(F)F)OC(=O)C

DOS

IR

Vibrations