Geometry & MOs

Info

ID:	135683
PubChem CID:	51915254
Reduced:	NO3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	488.198108
ΔH_f, kcal/mol:	-213.84
Dipole, Da:	2.77
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)N(C)CC2=CC=CC=C2)OCC

DOS

IR

Vibrations