Geometry & MOs

Info

ID:	329179
PubChem CID:	126731538
Reduced:	OSF3N5H18C23 (1)
Stoich.:	ABC3D5E18F23 (1)
Weight, g/mol:	431.159138
ΔH_f, kcal/mol:	-41.43
Dipole, Da:	5.26
IP(EA), eV:	-8.49(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C(=CC=C4)NSC5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations