Geometry & MOs

Info

ID:	444035
PubChem CID:	135261091
Reduced:	FO3N6C26H27 (1)
Stoich.:	AB3C6D26E27 (1)
Weight, g/mol:	428.185983
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	4.13
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CNC2=C1C(=NC=N2)OC3=C(C=C(C=C3)CC(C(=O)N4CCC(CC4)OC5=CN=CC=C5)N)F

DOS

IR

Vibrations