Geometry & MOs

Info

ID:	322495
PubChem CID:	126670268
Reduced:	FSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	338.256943
ΔH_f, kcal/mol:	-111.1
Dipole, Da:	5.52
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-hydroxypiperidin-1-yl)-2-methyl-3-oxopropyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C=C)\F)/CC1=C(OC(=C1)SC)C(=O)O

DOS

IR

Vibrations