Geometry & MOs

Info

ID:

394557

PubChem CID:

135023226

Reduced:

O4H14C17 (1)

Stoich.:

A4B14C17 (1)

Weight, g/mol:

784.476572

ΔHf, kcal/mol:

-95.52

Dipole, Da:

5.04

IP(EA), eV:

 -9.84(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,4S,5R,6S,7R,11S,13S)-11-[tert-butyl(dimethyl)silyl]oxy-13-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-5,7-dimethyl-4-phenylmethoxy-6-trimethylsilyloxyhexadec-2-en-9-yn-8-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1C(=[18O])C(=[18O])C2=CC=CC=C2

DOS

IR

Vibrations