Geometry & MOs

Info

ID:

32248

PubChem CID:

6436157

Reduced:

O5C41H56 (1)

Stoich.:

A5B41C56 (1)

Weight, g/mol:

813.45107

ΔHf, kcal/mol:

-231.26

Dipole, Da:

4.55

IP(EA), eV:

 -8.81(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(11Z,13E)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5R,6R)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@]2(C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O/C=C/C6=CC=CC=C6)C)C)C)C)C

DOS

IR

Vibrations