Geometry & MOs

Info

ID:	444059
PubChem CID:	135261186
Reduced:	F3O3N4C25H25 (1)
Stoich.:	A3B3C4D25E25 (1)
Weight, g/mol:	456.11609
ΔH_f, kcal/mol:	-164.09
Dipole, Da:	2.51
IP(EA), eV:	-8.45(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)NOC)NC2=NC=CC3=C2N(CCO3)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations