Geometry & MOs

Info

ID:

51838

PubChem CID:

12014591

Reduced:

FO3N4H7C14 (1)

Stoich.:

AB3C4D7E14 (1)

Weight, g/mol:

982.526485

ΔHf, kcal/mol:

-95.34

Dipole, Da:

5.5

IP(EA), eV:

 -10.09(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,8S,14S,20S)-10,16,22-trihydroxy-6,12,18,24-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15(26),16,18,21(25),22-dodecaenyl] [(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=O)NC3=C2C(=O)NC(=O)N3)C#N)F

DOS

IR

Vibrations