Geometry & MOs

Info

ID:

310188

PubChem CID:

126576405

Reduced:

NF2O4C23H25 (1)

Stoich.:

AB2C4D23E25 (1)

Weight, g/mol:

493.206465

ΔHf, kcal/mol:

-197.9

Dipole, Da:

3.5

IP(EA), eV:

 -9.18(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2R,4R,6S)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-phenyloxan-4-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\[C@H]1C[C@@H](CCO1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations