Geometry & MOs

Info

ID:

215645

PubChem CID:

85085026

Reduced:

O11N14C56H78 (1)

Stoich.:

A11B14C56D78 (1)

Weight, g/mol:

1123.789893

ΔHf, kcal/mol:

-466.14

Dipole, Da:

6.64

IP(EA), eV:

 -8.49(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2-acetyloxyhexacosanoylamino)-3-benzoyloxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-4-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(C5CCCC5)NC(=O)CN

DOS

IR

Vibrations