Geometry & MOs

Info

ID:

84890

PubChem CID:

49870570

Reduced:

NO5C32H54 (2)

Stoich.:

AB5C32D54 (2)

Weight, g/mol:

477.262757

ΔHf, kcal/mol:

-437.25

Dipole, Da:

5.34

IP(EA), eV:

 -9.38(-0.39)

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]-2-methylbut-3-yn-2-yl]urea

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCCOCC(COCCCCCCCCCC#CC#CCCCCCCCCCCCC)OC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations