Geometry & MOs

Info

ID:	135966
PubChem CID:	51960339
Reduced:	FON2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	371.120272
ΔH_f, kcal/mol:	-76.06
Dipole, Da:	2.45
IP(EA), eV:	-8.49(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N[C@H](C2=CC=C(C=C2)F)C(C)C)C

DOS

IR

Vibrations