Geometry & MOs

Info

ID:

215107

PubChem CID:

85084163

Reduced:

ClN2F3O4C37H38 (1)

Stoich.:

AB2C3D4E37F38 (1)

Weight, g/mol:

703.24762

ΔHf, kcal/mol:

-247.88

Dipole, Da:

2.08

IP(EA), eV:

 -8.82(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(1-hydroxyethyl)-2-[4-[2-methyl-3-oxo-3-[(4,6,7-triacetyloxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)amino]prop-1-enyl]-2-prop-2-enoxyphenoxy]-2,3-dihydrofuran-3-yl] acetate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CC2=CC(=CC=C2)OCC(CN(CC3=C(C(=CC=C3)C(F)(F)F)Cl)CC(C4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations