Geometry & MOs

Info

ID:

221538

PubChem CID:

85279126

Reduced:

O6C25H39 (2)

Stoich.:

A6B25C39 (2)

Weight, g/mol:

956.622902

ΔHf, kcal/mol:

-607.58

Dipole, Da:

5.6

IP(EA), eV:

 -8.5(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6'-[[7-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-methoxyphenyl)methoxy]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]methyl]-3a,4'-dimethyl-5'-methylidenespiro[3,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-4,2'-oxane]-2-yl]propyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCOC2=CC=C(C=C2)C

DOS

IR

Vibrations