Geometry & MOs

Info

ID:

47573

PubChem CID:

10534484

Reduced:

O25C67H116 (1)

Stoich.:

A25B67C116 (1)

Weight, g/mol:

1322.509147

ΔHf, kcal/mol:

-1205.42

Dipole, Da:

4.77

IP(EA), eV:

 -9.56(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-4-acetyloxy-5-[(2R,3R,4R,5R,6R)-4-acetyloxy-5-[(2R,3R,4R,5R,6R)-4-acetyloxy-3-azido-5-methoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-azido-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-azido-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-azido-2-methoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC(C(C(C/C=C/CC(/C=C/CC(CCCC(CCCC(CO)O)O)O)O)O)O)C(C(CC(CC/C(=C/C(C(C1C(C(CC(O1)C(CCC(=C)C(C(C2CC(C(C(O2)C(C(/C=C/CCCC(/C=C/C=C/C(CCC=C)O)O)O)O)O)O)O)O)O)O)O)O)O)/C)O)O)O

DOS

IR

Vibrations