Geometry & MOs

Info

ID:

319885

PubChem CID:

126657467

Reduced:

NO9C61H69 (1)

Stoich.:

AB9C61D69 (1)

Weight, g/mol:

601.27344

ΔHf, kcal/mol:

-247.87

Dipole, Da:

3.41

IP(EA), eV:

 -9.13(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S)-5-(acetyloxymethoxycarbonylamino)-4-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl] 6-phenylhexanoate

Drug info:

PubChemData

Smile

C/C=C/C[C@H]([C@H]([C@H](COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)CCCCCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations