Geometry & MOs

Info

ID:

215780

PubChem CID:

85085249

Reduced:

SN3O37C78H141 (1)

Stoich.:

AB3C37D78E141 (1)

Weight, g/mol:

1852.316052

ΔHf, kcal/mol:

-1793.15

Dipole, Da:

6.66

IP(EA), eV:

 -9.7(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[5-diphenoxyphosphoryloxy-4-[2-(dodecanoylamino)acetyl]oxy-3-(2,2,2-trichloroethoxycarbonylamino)-6-(2,2,2-trichloroethoxycarbonyloxymethyl)oxan-2-yl]oxymethyl]-6-(2-diphenoxyphosphoryloxyethoxy)-3-hydroxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-4-yl] 2-(dodecanoylamino)acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(CCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)CO)O)OC5(CC(C(C(O5)C(C(CO)O)O)N)O)C(=O)O)O)OC6C(C(C(C(O6)C)O)O)O)NC(=O)C)O)O)O)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations