Geometry & MOs

Info

ID:

445380

PubChem CID:

135266651

Reduced:

SO3N4C26H38 (1)

Stoich.:

AB3C4D26E38 (1)

Weight, g/mol:

637.367341

ΔHf, kcal/mol:

-22.08

Dipole, Da:

7.18

IP(EA), eV:

 -9.02(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3S,4R)-3-[1-[2-[(5S)-3,4-dihydroxy-6-(methylcarbamoyl)-5-[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-2-yloxy]-2-methylpropan-2-yl]oxy-4,5-dihydroxy-6-(2-methoxypropan-2-yl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\C(=CC(=C)OC)C(=O)O)/NCCCC(C)(CCCS)CN1C2C(N2)C=C(C=C1C)C#N

DOS

IR

Vibrations