Geometry & MOs

Info

ID:	443954
PubChem CID:	135260784
Reduced:	FO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	3.28
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-phenyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C(CC2=CC(=C(C=C2)OC3=C4C=CNC4=NC=C3)F)N

DOS

IR

Vibrations