Geometry & MOs

Info

ID:	244258
PubChem CID:	99319613
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-157.83
Dipole, Da:	4.2
IP(EA), eV:	-9.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,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