Geometry & MOs

Info

ID:

338246

PubChem CID:

127258938

Reduced:

ClO10H19C20 (1)

Stoich.:

AB10C19D20 (1)

Weight, g/mol:

792.429607

ΔHf, kcal/mol:

-376.39

Dipole, Da:

6.02

IP(EA), eV:

 -8.58(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1[C@H]([C@H]([C@@H](C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O.[Cl-]

DOS

IR

Vibrations