Geometry & MOs

Info

ID:	378799
PubChem CID:	134224899
Reduced:	SF3O3N6C18H19 (1)
Stoich.:	AB3C3D6E18F19 (1)
Weight, g/mol:	304.143645
ΔH_f, kcal/mol:	-197.59
Dipole, Da:	6.88
IP(EA), eV:	-9.23(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

DOS

IR

Vibrations