Geometry & MOs

Info

ID:

220158

PubChem CID:

85165307

Reduced:

ClI2N2O7H17C18 (1)

Stoich.:

AB2C2D7E17F18 (1)

Weight, g/mol:

662.272712

ΔHf, kcal/mol:

-231.64

Dipole, Da:

4.79

IP(EA), eV:

 -9.32(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-acetyloxy-2-[2-[3,4-bis(phenylmethoxy)phenyl]ethoxy]-2-methyl-7-prop-2-enoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C3=CC(=C(C=C3N=C2Cl)I)I)OC(=O)C)OC(=O)C

DOS

IR

Vibrations