Geometry & MOs

Info

ID:

394989

PubChem CID:

135024360

Reduced:

O2N7C17H23 (1)

Stoich.:

A2B7C17D23 (1)

Weight, g/mol:

991.487062

ΔHf, kcal/mol:

51.0

Dipole, Da:

4.56

IP(EA), eV:

 -9.77(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S,5R,6R,16R,17R,18S,19R)-11-benzyl-4,5,17,18,19-pentakis(phenylmethoxy)-3-(prop-2-enoxymethyl)-2,8,14,20,21-pentaoxa-11-azatricyclo[14.3.1.13,6]henicosane

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)COCC2=NC(=CC=C2)COCC3=CN(N=N3)CC

DOS

IR

Vibrations