Geometry & MOs

Info

ID:	278291
PubChem CID:	103834652
Reduced:	FNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	293.129694
ΔH_f, kcal/mol:	-168.37
Dipole, Da:	5.45
IP(EA), eV:	-9.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbutanoate

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)O

DOS

IR

Vibrations