Geometry & MOs

Info

ID:

12005

PubChem CID:

125818

Reduced:

NSO10C24H47 (1)

Stoich.:

ABC10D24E47 (1)

Weight, g/mol:

541.292068

ΔHf, kcal/mol:

-477.94

Dipole, Da:

1.46

IP(EA), eV:

 -9.67(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-2-[(2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O

DOS

IR

Vibrations