Geometry & MOs

Info

ID:

186487

PubChem CID:

77439127

Reduced:

O2C5H5 (6)

Stoich.:

A2B5C5 (6)

Weight, g/mol:

728.340792

ΔHf, kcal/mol:

-428.8

Dipole, Da:

7.83

IP(EA), eV:

 -9.54(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-(3-methyl-2-propan-2-yloxybutanoyl)oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(OC1=CC=C(C=C1)C(=O)OC2COC3C2OCC3OC(=O)C4=CC=C(C=C4)OC(C)OC(=O)C=C)OC(=O)C=C

DOS

IR

Vibrations