Geometry & MOs

Info

ID:

415228

PubChem CID:

135088220

Reduced:

OF3N4C15H15 (1)

Stoich.:

AB3C4D15E15 (1)

Weight, g/mol:

623.322003

ΔHf, kcal/mol:

-134.07

Dipole, Da:

6.55

IP(EA), eV:

 -9.15(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]quinoxaline-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C2=NC=CC(=N2)C(F)(F)F)O)CC3=CC=CC=N3

DOS

IR

Vibrations