Geometry & MOs

Info

ID:

417676

PubChem CID:

135102479

Reduced:

F3N3O4C16H16 (1)

Stoich.:

A3B3C4D16E16 (1)

Weight, g/mol:

692.332233

ΔHf, kcal/mol:

-274.14

Dipole, Da:

8.64

IP(EA), eV:

 -9.5(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,9R,12S,15S,17R)-17-hydroxy-3-(1H-indol-3-ylmethyl)-12-methyl-9-phenyl-7-[(3S)-3-phenylbutanoyl]-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NC(=N2)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O)C(F)(F)F

DOS

IR

Vibrations