Geometry & MOs

Info

ID:

84848

PubChem CID:

49870320

Reduced:

NO5C28H33 (1)

Stoich.:

AB5C28D33 (1)

Weight, g/mol:

490.283158

ΔHf, kcal/mol:

-160.44

Dipole, Da:

7.88

IP(EA), eV:

 -9.62(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[(1S)-1-[(6S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N,2,2-tetramethylbut-3-ynamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C#CC(C)(C)C(=O)O)N2CC[C@](OC2=O)(CC(C)(C)O)C3=CC=CC=C3

DOS

IR

Vibrations