Geometry & MOs

Info

ID:

383554

PubChem CID:

134975341

Reduced:

O9C36H38 (1)

Stoich.:

A9B36C38 (1)

Weight, g/mol:

642.282883

ΔHf, kcal/mol:

-290.44

Dipole, Da:

3.66

IP(EA), eV:

 -8.82(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(1S,2R,3S)-2-[(3E,5S)-2-acetyloxy-5-[(4-methoxyphenyl)methoxy]-7-methylocta-3,7-dienyl]-3-benzoyloxycyclobutyl]-5-ethenylfuran-3-carboxylate

Drug info:

PubChemData

Smile

C/C/1=C\C2=CC(=C(O2)[C@H]3C[C@@H]([C@@H]3C[C@H](/C=C/[C@H](C1)OCC4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations