Geometry & MOs

Info

ID:

84891

PubChem CID:

49870572

Reduced:

N3O4C28H35 (1)

Stoich.:

A3B4C28D35 (1)

Weight, g/mol:

512.234493

ΔHf, kcal/mol:

-124.57

Dipole, Da:

6.0

IP(EA), eV:

 -9.3(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations