Geometry & MOs

Info

ID:	329164
PubChem CID:	126731471
Reduced:	OSF4N6H14C24 (1)
Stoich.:	ABC4D6E14F24 (1)
Weight, g/mol:	482.170037
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	2.04
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-difluoro-3-(propylsulfanylamino)phenyl]-[4-(3-pyridin-3-ylpropylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=CC(=C4F)NSC5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations