Geometry & MOs

Info

ID:

422856

PubChem CID:

135118521

Reduced:

OF3N4C16H19 (1)

Stoich.:

AB3C4D16E19 (1)

Weight, g/mol:

640.298488

ΔHf, kcal/mol:

-145.06

Dipole, Da:

6.21

IP(EA), eV:

 -9.15(-0.96)

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]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations