Geometry & MOs

Info

ID:

7507

PubChem CID:

73163

Reduced:

O7C22H38 (2)

Stoich.:

A7B22C38 (2)

Weight, g/mol:

828.523507

ΔHf, kcal/mol:

-712.92

Dipole, Da:

8.61

IP(EA), eV:

 -9.09(0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(2S,3R,4R,5R,6R)-2-hydroxy-6-[(1S)-1-[(2R,5R,8R,9R)-2-[(5R)-5-[(2R,3S,4R,5S)-5-[(2R,3S,5R,6R)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@H](C)[C@H]2[C@@H](C(C[C@@]3(O2)CC[C@](O3)(C)C4CC[C@](O4)(C)[C@H]5[C@H]([C@H]([C@H](O5)[C@H]6[C@H](C([C@H]([C@](O6)(C)O)C)OC)C)OC)C)OC)C)([C@H](C)C(=O)O)O)C)OC

DOS

IR

Vibrations