Geometry & MOs

Info

ID:

383581

PubChem CID:

134975375

Reduced:

PO7C36H39 (1)

Stoich.:

AB7C36D39 (1)

Weight, g/mol:

522.261754

ΔHf, kcal/mol:

-260.89

Dipole, Da:

2.66

IP(EA), eV:

 -9.26(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3R)-2-[(3E,5S)-2-acetyloxy-5-[(4-methoxyphenyl)methoxy]-7-methylocta-3,7-dienyl]-3-(hydroxymethyl)cyclobutyl] benzoate

Drug info:

PubChemData

Smile

COP(=O)(CC(C[C@@H]1[C@@H](C[C@@H]1OC(=O)C2=CC=CC=C2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)OC

DOS

IR

Vibrations