Geometry & MOs

Info

ID:

446843

PubChem CID:

135278166

Reduced:

FSN2O5C40H41 (1)

Stoich.:

ABC2D5E40F41 (1)

Weight, g/mol:

504.263565

ΔHf, kcal/mol:

-156.92

Dipole, Da:

2.02

IP(EA), eV:

 -8.38(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[2-[4-[(6Z)-3-fluoro-8-hydroxynona-6,8-dienoxy]phenoxy]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CN(CC2C1)CCOC3=CC=C(C=C3)OC4=C(SC5=C4C=CC(=C5)OCC6=CC=CC=C6)C7=CC=C(C=C7)F

DOS

IR

Vibrations