Geometry & MOs

Info

ID:

419606

PubChem CID:

135108540

Reduced:

OF3N4C15H15 (1)

Stoich.:

AB3C4D15E15 (1)

Weight, g/mol:

641.27286

ΔHf, kcal/mol:

-137.33

Dipole, Da:

7.07

IP(EA), eV:

 -8.96(-1.12)

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]-3-chloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C2=NC=C(C=C2)C(F)(F)F)O)CC3=NC=CN=C3

DOS

IR

Vibrations