Geometry & MOs

Info

ID:

397084

PubChem CID:

135029704

Reduced:

ClOC13H15 (1)

Stoich.:

ABC13D15 (1)

Weight, g/mol:

600.163162

ΔHf, kcal/mol:

-42.09

Dipole, Da:

2.43

IP(EA), eV:

 -9.99(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,11R,13R)-13,21-dihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),4(9),5,7,17,20(25),21,23,27-nonaene-3,10,15,19,26-pentone

Drug info:

PubChemData

Smile

C1C[C@@H](C(C1)Cl)CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations