Geometry & MOs

Info

ID:	443992
PubChem CID:	135260944
Reduced:	BrO3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	434.186652
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	2.09
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[3-fluoro-4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(2-pyridin-4-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)C(CC2=CC=C(C=C2)OC3=C4C(=CNC4=NC=C3)Br)N

DOS

IR

Vibrations