Geometry & MOs

Info

ID:

59680

PubChem CID:

24893233

Reduced:

NO8C31H37 (1)

Stoich.:

AB8C31D37 (1)

Weight, g/mol:

637.288697

ΔHf, kcal/mol:

-296.0

Dipole, Da:

8.65

IP(EA), eV:

 -9.42(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,5S,7R,14R)-7-acetyloxy-2-butanoyloxy-5,9-dimethyl-8-oxo-4-propanoyloxy-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@H]/1CC[C@@]2(C3=C(C(=CC4=C3[C@]5(O2)[C@]([C@H]6CC(=O)N[C@@]6(C4=O)C57CC7)(C(=O)O[C@H]([C@H](/C=C1)O)C)C)C)OC)O

DOS

IR

Vibrations