Geometry & MOs

Info

ID:

320188

PubChem CID:

126658612

Reduced:

SN2O4C15H30 (1)

Stoich.:

AB2C4D15E30 (1)

Weight, g/mol:

544.303618

ΔHf, kcal/mol:

-203.64

Dipole, Da:

4.33

IP(EA), eV:

 -8.45(0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-methoxy-3-(2-propan-2-yloxyethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCN(C)C(=O)C([C@@H](CCSCC)N)OC

DOS

IR

Vibrations