Geometry & MOs

Info

ID:	237660
PubChem CID:	92720245
Reduced:	ClFN2O5C25H28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-237.81
Dipole, Da:	4.55
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylamino)-2-oxoethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl)C3=CC=C(C=C3)OC

DOS

IR

Vibrations