Geometry & MOs

Info

ID:

393177

PubChem CID:

135019626

Reduced:

NSO10H35C41 (1)

Stoich.:

ABC10D35E41 (1)

Weight, g/mol:

692.167596

ΔHf, kcal/mol:

-267.05

Dipole, Da:

6.89

IP(EA), eV:

 -9.83(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-[(Z)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@@H](O1)O/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations