Geometry & MOs

Info

ID:

382282

PubChem CID:

134973338

Reduced:

NSO9C14H21 (1)

Stoich.:

ABC9D14E21 (1)

Weight, g/mol:

553.128768

ΔHf, kcal/mol:

-377.81

Dipole, Da:

7.84

IP(EA), eV:

 -9.28(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4R,5R)-5-acetamido-4-acetyloxy-6-[(1S,2R)-1,2-diacetyloxy-3-methylsulfanylcarbothioyloxypropyl]-2-methoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@](OC1[C@@H]([C@H]2COC(=S)O2)O)(C(=O)OC)OC)O

DOS

IR

Vibrations