Geometry & MOs

Info

ID:

230341

PubChem CID:

87570684

Reduced:

ClSF2N3O11H26C28 (1)

Stoich.:

ABC2D3E11F26G28 (1)

Weight, g/mol:

397.190066

ΔHf, kcal/mol:

-459.69

Dipole, Da:

10.73

IP(EA), eV:

 -9.51(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(E)-1-(3-fluoro-4-methoxyphenyl)ethylideneamino]oxybutyl]-2,4-dimethyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CO[C@]([C@@H](N1C(=O)OC(=O)C(=O)COC(=O)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N)C)(C4=CC(=CC(=C4)F)F)O

DOS

IR

Vibrations