Geometry & MOs

Info

ID:

169442

PubChem CID:

75104714

Reduced:

PN5O6C30H56 (1)

Stoich.:

AB5C6D30E56 (1)

Weight, g/mol:

1016.515187

ΔHf, kcal/mol:

-332.6

Dipole, Da:

6.21

IP(EA), eV:

 -9.12(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[6-(2-formamido-3-hydroxyoctadec-4-enoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCCOP(=O)(COC(CN1C=NC2=C(N=CN=C21)N)COC)O

DOS

IR

Vibrations