Geometry & MOs

Info

ID:	322158
PubChem CID:	126668977
Reduced:	SN3O3F4H21C23 (1)
Stoich.:	AB3C3D4E21F23 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	-242.8
Dipole, Da:	5.28
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4R)-4-(4-fluorophenyl)-1-methyl-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)CCCF)C=CC(=C2)S(=O)(=O)NC4=NN=CC=C4

DOS

IR

Vibrations