Geometry & MOs

Info

ID:

2021

PubChem CID:

5608

Reduced:

N4O16C39H64 (1)

Stoich.:

A4B16C39D64 (1)

Weight, g/mol:

844.431732

ΔHf, kcal/mol:

-769.0

Dipole, Da:

4.27

IP(EA), eV:

 -10.16(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]hexadec-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC=CC(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O

DOS

IR

Vibrations