Geometry & MOs

Info

ID:

414353

PubChem CID:

135087309

Reduced:

N3O3C22H27 (1)

Stoich.:

A3B3C22D27 (1)

Weight, g/mol:

624.338381

ΔHf, kcal/mol:

-109.89

Dipole, Da:

1.24

IP(EA), eV:

 -8.39(-0.03)

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]-2-(2-methylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations