Geometry & MOs

Info

ID:

168501

PubChem CID:

74979230

Reduced:

N5O47C102H181 (1)

Stoich.:

A5B47C102D181 (1)

Weight, g/mol:

1634.949485

ΔHf, kcal/mol:

-2300.63

Dipole, Da:

9.36

IP(EA), eV:

 -9.72(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)NC(=O)C)OC9C(C(C(C(O9)C)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations