Geometry & MOs

Info

ID:

45270

PubChem CID:

10510422

Reduced:

ClN2Si2O5C70H83 (1)

Stoich.:

AB2C2D5E70F83 (1)

Weight, g/mol:

1124.544984

ΔHf, kcal/mol:

-198.48

Dipole, Da:

5.53

IP(EA), eV:

 -8.71(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2Z,6Z,10Z,14Z,18Z,22Z)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoxy]-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCC1(CCCC1)N(CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)C4=CC=CC=C4CCC(=O)CC5=C(C=C(C=C5)Cl)C(=O)N(CCO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)C(C)(C)C8=CC=CC=C8

DOS

IR

Vibrations