Geometry & MOs

Info

ID:

45173

PubChem CID:

10508716

Reduced:

N3O6C38H65 (1)

Stoich.:

A3B6C38D65 (1)

Weight, g/mol:

680.283277

ΔHf, kcal/mol:

-343.87

Dipole, Da:

6.12

IP(EA), eV:

 -8.64(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R)-2-[4-[(1S,2R)-2-[4-(1,3-dihydroxypropyl)-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,3-diol

Drug info:

PubChemData

Smile

CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@H]4N3C(N2)N[C@]5(C4C(=O)OCCCCCCCCCCCCCCC(=O)OC)CCC[C@H](O5)C

DOS

IR

Vibrations