Geometry & MOs

Info

ID:

221671

PubChem CID:

85285867

Reduced:

N4O11C25H46 (1)

Stoich.:

A4B11C25D46 (1)

Weight, g/mol:

535.130221

ΔHf, kcal/mol:

-554.46

Dipole, Da:

4.97

IP(EA), eV:

 -9.18(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-2-[(3,4-dihydroxy-5-methoxyoxolan-2-yl)methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)CCN(CC(C(CO)O)NC(=O)CCCC(=O)O)CC(=O)NCCCCCC(=O)N)O)O)O

DOS

IR

Vibrations