Geometry & MOs

Info

ID:	397666
PubChem CID:	135030544
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	479.202048
ΔH_f, kcal/mol:	-206.43
Dipole, Da:	1.92
IP(EA), eV:	-9.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,4R)-4-(3-fluoroanilino)-4-[(3-fluorophenyl)carbamoyl]-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@](CCN1C(=O)OCC2=CC=CC=C2)(C(=O)OC)OC

DOS

IR

Vibrations