Geometry & MOs

Info

ID:

47291

PubChem CID:

10531267

Reduced:

NO6C35H47 (1)

Stoich.:

AB6C35D47 (1)

Weight, g/mol:

578.287968

ΔHf, kcal/mol:

-254.97

Dipole, Da:

5.85

IP(EA), eV:

 -9.03(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,1S)-1-[(2S,5R)-5-[(2R,5S)-5-[(E,1S)-1-[(2S)-2-methoxy-2-phenylacetyl]oxybut-2-enyl]oxolan-2-yl]oxolan-2-yl]but-2-enyl] (2S)-2-methoxy-2-phenylacetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=CC=CC(=C3)CC(=O)OCC)C(=O)OCC

DOS

IR

Vibrations