Geometry & MOs

Info

ID:	244259
PubChem CID:	99319614
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-154.64
Dipole, Da:	2.91
IP(EA), eV:	-8.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1[C@@H]([C@H](CCC1=O)C(=O)NCCNC(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations