Geometry & MOs

Info

ID:	244257
PubChem CID:	99319611
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	6.04
IP(EA), eV:	-9.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NCCNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations