Geometry & MOs

Info

ID:

416508

PubChem CID:

135089526

Reduced:

ClO3N4C13H17 (1)

Stoich.:

AB3C4D13E17 (1)

Weight, g/mol:

717.359845

ΔHf, kcal/mol:

-48.4

Dipole, Da:

3.34

IP(EA), eV:

 -9.35(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CCC2=CC(=NO2)Cl

DOS

IR

Vibrations