Geometry & MOs

Info

ID:

168498

PubChem CID:

74978684

Reduced:

NO28C64H117 (1)

Stoich.:

AB28C64D117 (1)

Weight, g/mol:

1765.971343

ΔHf, kcal/mol:

-1376.85

Dipole, Da:

11.19

IP(EA), eV:

 -10.15(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[4-[3-acetamido-4-[4-[3-acetamido-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations