Geometry & MOs

Info

ID:	237661
PubChem CID:	92720250
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	497.2162
ΔH_f, kcal/mol:	-186.81
Dipole, Da:	5.54
IP(EA), eV:	-8.96(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-nitroanilino)-2-oxoethyl] (2S,3R)-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=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations