Geometry & MOs

Info

ID:	329152
PubChem CID:	126731452
Reduced:	SO2F3N4H17C23 (1)
Stoich.:	AB2C3D4E17F23 (1)
Weight, g/mol:	405.143488
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	1.78
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1COC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=CC(=C4F)NSC5=CC=CC=C5F)F

DOS

IR

Vibrations