Geometry & MOs

Info

ID:

393850

PubChem CID:

135021825

Reduced:

NO4C15H19 (1)

Stoich.:

AB4C15D19 (1)

Weight, g/mol:

1275.347453

ΔHf, kcal/mol:

-151.33

Dipole, Da:

5.26

IP(EA), eV:

-9.57(-0.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

dipotassium;(3R,6R)-3-[(2S,5S)-3-acetamido-4-[[(6R,8aR)-7-[(3S,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-2-oxido-2-oxo-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxaphosphinin-6-yl]oxy]-5-[(3R,5S,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,5R)-3-acetamido-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-5-hydroxy-6-methyloxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C(=O)O)NC(=O)OCC=C

DOS

IR

Vibrations