Geometry & MOs

Info

ID:

320206

PubChem CID:

126658705

Reduced:

O7C29H40 (1)

Stoich.:

A7B29C40 (1)

Weight, g/mol:

564.27569

ΔHf, kcal/mol:

-225.11

Dipole, Da:

7.7

IP(EA), eV:

 -9.12(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5R,6S,7R)-6-methoxy-7-[(3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]oxonan-5-yl] (E)-3-[4-methoxy-3-(2-methylsulfanyloxyethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOCCOC1=CC=C(C=C1)/C=C/C(=O)O[C@@H]2CC[C@]3(CO3)C([C@@H]2OC)[C@]4(C(O4)CC=C(C)C)C

DOS

IR

Vibrations