Geometry & MOs

Info

ID:

159267

PubChem CID:

57269374

Reduced:

N2F3O5C36H39 (1)

Stoich.:

A2B3C5D36E39 (1)

Weight, g/mol:

835.508191

ΔHf, kcal/mol:

-262.18

Dipole, Da:

6.29

IP(EA), eV:

 -8.66(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-3,10,16-trioxo-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CN([C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6OC(=O)C)C(=O)C#CC7=CC=C(C=C7)C(F)(F)F

DOS

IR

Vibrations