Geometry & MOs

Info

ID:

298006

PubChem CID:

117645992

Reduced:

Cl2O17C53H76 (1)

Stoich.:

A2B17C53D76 (1)

Weight, g/mol:

1054.445956

ΔHf, kcal/mol:

-733.39

Dipole, Da:

3.82

IP(EA), eV:

 -8.71(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[(3E,5E,9E,13E,15E)-12-[3,5-dihydroxy-6,6-dimethyl-4-(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)O)O)OC(=O)C(C)C)\C)\C)C(C)O)\COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)C)Cl)CC)O)OC)O)\C

DOS

IR

Vibrations