Geometry & MOs

Info

ID:

394270

PubChem CID:

135022664

Reduced:

SN2O12C27H34 (1)

Stoich.:

AB2C12D27E34 (1)

Weight, g/mol:

570.151946

ΔHf, kcal/mol:

-505.82

Dipole, Da:

5.04

IP(EA), eV:

 -9.1(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R,5R)-5-acetamido-4-acetyloxy-2-pyridin-2-ylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@@](OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCC=C)SC2=CC=CC=N2)OC(=O)C

DOS

IR

Vibrations