Geometry & MOs

Info

ID:	447579
PubChem CID:	135283979
Reduced:	NOSF5H26C28 (1)
Stoich.:	ABCD5E26F28 (1)
Weight, g/mol:	391.125358
ΔH_f, kcal/mol:	-235.64
Dipole, Da:	4.33
IP(EA), eV:	-8.63(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-(4-fluorophenyl)-4-methylsulfonylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C=C2[C@@H]1N3CCC(CC3C4=CC=C(C=C4)F)C(F)(F)F)F)SCC5=CC=CC=C5

DOS

IR

Vibrations