Geometry & MOs

Info

ID:

416322

PubChem CID:

135089335

Reduced:

ON6C21H26 (1)

Stoich.:

AB6C21D26 (1)

Weight, g/mol:

684.338381

ΔHf, kcal/mol:

24.83

Dipole, Da:

0.34

IP(EA), eV:

 -8.35(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18R)-12-benzyl-3,9,10-trimethyl-18-phenyl-6-propan-2-yl-16-(pyrazine-2-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CC(=N1)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)N

DOS

IR

Vibrations