Geometry & MOs

Info

ID:

26321

PubChem CID:

644165

Reduced:

O6N9C38H57 (1)

Stoich.:

A6B9C38D57 (1)

Weight, g/mol:

389.072312

ΔHf, kcal/mol:

-229.85

Dipole, Da:

3.51

IP(EA), eV:

 -9.41(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R,5R,6S)-5-acetamido-6-(1,2-dihydroxy-3-phosphonooxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)N[C@@H](C)C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCCC4=NNN=N4

DOS

IR

Vibrations