Geometry & MOs

Info

ID:

18328

PubChem CID:

539653

Reduced:

O13C23H34 (1)

Stoich.:

A13B23C34 (1)

Weight, g/mol:

518.199941

ΔHf, kcal/mol:

-606.48

Dipole, Da:

1.22

IP(EA), eV:

 -10.11(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methoxy]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)OCC2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations