Geometry & MOs

Info

ID:

215628

PubChem CID:

85085002

Reduced:

Cl2N2O4C69H108 (1)

Stoich.:

A2B2C4D69E108 (1)

Weight, g/mol:

1100.528593

ΔHf, kcal/mol:

-222.7

Dipole, Da:

4.42

IP(EA), eV:

 -7.98(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-[(4-methoxyphenyl)methoxy]-1,2-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCN(CC1=CC(=C(C=C1)OC)OC)C2CCCCC2NCC3=CC(=C(C=C3)OC)OC)C)C)C)C)C)C)C)C)C.Cl.Cl

DOS

IR

Vibrations