Geometry & MOs

Info

ID:	237656
PubChem CID:	92720235
Reduced:	N2O6C27H34 (1)
Stoich.:	A2B6C27D34 (1)
Weight, g/mol:	490.167078
ΔH_f, kcal/mol:	-227.1
Dipole, Da:	3.89
IP(EA), eV:	-9.12(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-fluoroanilino)-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)NCC2=CC=CC=C2OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations