Geometry & MOs

Info

ID:	141531
PubChem CID:	52890353
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-189.17
Dipole, Da:	5.18
IP(EA), eV:	-8.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] 2,4,6-trimethylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)[C@H](C)COC)C

DOS

IR

Vibrations