Geometry & MOs

Info

ID:

419192

PubChem CID:

135107693

Reduced:

ON6C19H22 (1)

Stoich.:

AB6C19D22 (1)

Weight, g/mol:

792.362882

ΔHf, kcal/mol:

48.66

Dipole, Da:

7.79

IP(EA), eV:

 -8.88(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,18R)-18-benzyl-16-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-3,12-dimethyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=NC=C2)NCCCC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations