Geometry & MOs

Info

ID:

53769

PubChem CID:

14717895

Reduced:

O10C24H37 (2)

Stoich.:

A10B24C37 (2)

Weight, g/mol:

924.471865

ΔHf, kcal/mol:

-931.43

Dipole, Da:

8.29

IP(EA), eV:

 -10.17(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[14-[4-hydroxy-5-[4-hydroxy-5-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@]4(CC([C@@H]5C6=CC(=O)OC6)OC=O)O)C)C)O)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O

DOS

IR

Vibrations