Geometry & MOs

Info

ID:

328045

PubChem CID:

126691845

Reduced:

F3N3O4C34H36 (1)

Stoich.:

A3B3C4D34E36 (1)

Weight, g/mol:

1306.735231

ΔHf, kcal/mol:

-241.56

Dipole, Da:

7.66

IP(EA), eV:

 -8.47(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28Z,30S,32S,35R)-30-[2-[4-[2-amino-6-(6-methoxypyridin-3-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyethoxy]-1,18-dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C=O)OC)C6=CC(=CC=C6)C(F)(F)F

DOS

IR

Vibrations