Geometry & MOs

Info

ID:

403834

PubChem CID:

135062075

Reduced:

FN2O7C22H23 (1)

Stoich.:

AB2C7D22E23 (1)

Weight, g/mol:

520.226117

ΔHf, kcal/mol:

-267.5

Dipole, Da:

4.44

IP(EA), eV:

 -9.83(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5S,6S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-6-[(E)-2-(4-fluorophenyl)ethenoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C)(N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)F

DOS

IR

Vibrations