Geometry & MOs

Info

ID:

382454

PubChem CID:

134973615

Reduced:

O5C36H36 (1)

Stoich.:

A5B36C36 (1)

Weight, g/mol:

340.224974

ΔHf, kcal/mol:

-136.25

Dipole, Da:

1.73

IP(EA), eV:

 -8.7(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(2R,3S,6R)-6-[(E)-3-[(2S,5S)-5-(1-methoxyethyl)oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]acetate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H](C3=CC=CC=C3O[C@@H]2O[C@@H]4[C@@H]5[C@H](C6=CC=CC=C6O4)O[C@@H](C5C)C7=CC=CC=C7)O[C@@H]1C8=CC=CCC8

DOS

IR

Vibrations