Geometry & MOs

Info

ID:

433516

PubChem CID:

135173654

Reduced:

SF3N6O11H39C43 (1)

Stoich.:

AB3C6D11E39F43 (1)

Weight, g/mol:

500.198108

ΔHf, kcal/mol:

-438.71

Dipole, Da:

10.34

IP(EA), eV:

 -8.81(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(1E)-1-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-3-oxopenta-1,4-dien-2-yl]oxymethyl]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)C5=CC=C(C=C5)OCCOCCOCCOC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)F

DOS

IR

Vibrations