Geometry & MOs

Info

ID:

221741

PubChem CID:

85286096

Reduced:

O13C31H36 (1)

Stoich.:

A13B31C36 (1)

Weight, g/mol:

616.288362

ΔHf, kcal/mol:

-533.6

Dipole, Da:

4.99

IP(EA), eV:

 -8.57(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-15-(3,4,5-trihydroxyoxan-2-yl)oxy-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)OC)C)C2=CC=CC=C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations