Geometry & MOs

Info

ID:

84067

PubChem CID:

49863978

Reduced:

NO5H17C19 (1)

Stoich.:

AB5C17D19 (1)

Weight, g/mol:

466.235539

ΔHf, kcal/mol:

-127.41

Dipole, Da:

5.69

IP(EA), eV:

 -8.61(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,4S,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC(=CC=C3)OC

DOS

IR

Vibrations