Geometry & MOs

Info

ID:

325598

PubChem CID:

126684130

Reduced:

O2N3C14H25 (1)

Stoich.:

A2B3C14D25 (1)

Weight, g/mol:

726.420379

ΔHf, kcal/mol:

-72.75

Dipole, Da:

4.39

IP(EA), eV:

-10.48(-0.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,4R,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-7-[2-(4-phenyltriazol-1-yl)ethyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione

Drug info:

PubChemData

Smile

CCCCCCC(C)CN1C=C(N=N1)C(=O)OCC

DOS

IR

Vibrations