Geometry & MOs

Info

ID:

222823

PubChem CID:

85332648

Reduced:

NO8C31H33 (1)

Stoich.:

AB8C31D33 (1)

Weight, g/mol:

547.314517

ΔHf, kcal/mol:

-276.59

Dipole, Da:

0.86

IP(EA), eV:

 -9.68(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(3,3,6a,10b-tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Drug info:

PubChemData

Smile

CCCC(N)OC1C(C(C(C(O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations