Geometry & MOs

Info

ID:

191120

PubChem CID:

78106573

Reduced:

NO7C31H37 (1)

Stoich.:

AB7C31D37 (1)

Weight, g/mol:

1625.037284

ΔHf, kcal/mol:

-213.45

Dipole, Da:

2.77

IP(EA), eV:

 -8.78(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[6-(docosanoyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl 4-(4-docos-21-ynoxybenzoyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C=C)OC1=C(C2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OC(C)(C)C=C)O)OCC=CCN4CCOCC4

DOS

IR

Vibrations