Geometry & MOs

Info

ID:

141693

PubChem CID:

52917961

Reduced:

SO3N7C28H29 (1)

Stoich.:

AB3C7D28E29 (1)

Weight, g/mol:

752.216379

ΔHf, kcal/mol:

29.92

Dipole, Da:

5.36

IP(EA), eV:

 -8.59(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methoxy]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CN2CCC3=C(C2)N4C=C(N=C(C4=N3)N5CCOCC5)C6=C7C=NNC7=CC=C6

DOS

IR

Vibrations