Geometry & MOs

Info

ID:	444028
PubChem CID:	135261067
Reduced:	ClN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-51.46
Dipole, Da:	6.26
IP(EA), eV:	-9.63(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(1-methylazetidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OC)NC2=NC=CC(=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations