Geometry & MOs

Info

ID:

420206

PubChem CID:

135111833

Reduced:

O4N6C19H24 (1)

Stoich.:

A4B6C19D24 (1)

Weight, g/mol:

678.337712

ΔHf, kcal/mol:

-64.39

Dipole, Da:

11.1

IP(EA), eV:

 -9.59(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]propanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)COC3=CC=C(C=C3)N4C=NN=N4)C(=O)O

DOS

IR

Vibrations