Geometry & MOs

Info

ID:

438840

PubChem CID:

135228598

Reduced:

FSO4N5C26H28 (1)

Stoich.:

ABC4D5E26F28 (1)

Weight, g/mol:

547.220617

ΔHf, kcal/mol:

-131.78

Dipole, Da:

3.58

IP(EA), eV:

 -8.64(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,3aR)-2-(dimethylcarbamoyl)-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=C(C=CC(=C3)F)OC)C(C)C(=O)N4CCCC4)N5C=CC=N5

DOS

IR

Vibrations