Geometry & MOs

Info

ID:

168505

PubChem CID:

74980217

Reduced:

N2O23C66H122 (1)

Stoich.:

A2B23C66D122 (1)

Weight, g/mol:

1627.954905

ΔHf, kcal/mol:

-1207.04

Dipole, Da:

7.68

IP(EA), eV:

 -9.96(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-2-[3-acetamido-2-[2-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-2-(tetracos-15-enoylamino)octadec-4-enoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)NC(=O)C)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

DOS

IR

Vibrations