Geometry & MOs

Info

ID:

394927

PubChem CID:

135024180

Reduced:

O9C25H30 (1)

Stoich.:

A9B25C30 (1)

Weight, g/mol:

492.235933

ΔHf, kcal/mol:

-331.17

Dipole, Da:

10.36

IP(EA), eV:

 -8.9(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-[(2S,4S,6R)-4-(methoxymethoxy)-6-[3-methoxy-4-(methoxymethoxy)phenyl]oxan-2-yl]-2-[4-(methoxymethoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

COCO[C@@H]1C[C@H](O[C@H](C1)C2=CC(=C(C=C2)OCOC)OC)[C@@H]3[C@H](OC(=O)O3)C4=CC=CC=C4

DOS

IR

Vibrations