Geometry & MOs

Info

ID:

383076

PubChem CID:

134974585

Reduced:

PdO2P2H30C33 (1)

Stoich.:

AB2C2D30E33 (1)

Weight, g/mol:

384.251189

ΔHf, kcal/mol:

110.57

Dipole, Da:

13.22

IP(EA), eV:

 -6.17(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,8S,11aR)-8-[(1S)-1-(methoxymethoxy)heptyl]-2,2-dimethyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-e]oxecin-6-one

Drug info:

PubChemData

Smile

[CH2-]C=C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)OC3=[C-]C(=CC=C3)O[PH+](C4=CC=CC=C4)C5=CC=CC=C5.[Pd+2]

DOS

IR

Vibrations