Geometry & MOs

Info

ID:

298434

PubChem CID:

117649447

Reduced:

FSN2O2C21H25 (1)

Stoich.:

ABC2D2E21F25 (1)

Weight, g/mol:

646.314183

ΔHf, kcal/mol:

-80.76

Dipole, Da:

3.8

IP(EA), eV:

 -8.94(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-18,18-dimethyl-5-(3-methylbut-2-enyl)-10,15-dioxo-3,12,17-trioxahexacyclo[12.4.1.02,11.02,16.04,9.011,13]nonadeca-4,6,8-trien-16-yl]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC2=C(CC(C2CC3=CC(=CC=C3)F)N4CCC4)C=C1

DOS

IR

Vibrations