Geometry & MOs

Info

ID:

298005

PubChem CID:

117645990

Reduced:

Cl2O17C52H74 (1)

Stoich.:

A2B17C52D74 (1)

Weight, g/mol:

1054.445956

ΔHf, kcal/mol:

-741.21

Dipole, Da:

5.54

IP(EA), eV:

 -9.07(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[(3E,5E,9E,13E,15E)-12-[4,5-dihydroxy-6,6-dimethyl-3-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-6-hydroxy-4-methylbenzoate

Drug info:

PubChemData

Smile

CCC1/C=C(/C(C/C=C/C=C(/C(=O)OC(C/C=C(/C=C(/C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)C(C)O)\COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)C)Cl)C)O)OC)O)\C

DOS

IR

Vibrations