Geometry & MOs

Info

ID:	378818
PubChem CID:	134224919
Reduced:	SO2F3N6C19H21 (1)
Stoich.:	AB2C3D6E19F21 (1)
Weight, g/mol:	305.138894
ΔH_f, kcal/mol:	-134.51
Dipole, Da:	5.66
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)N1CC(C1)(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations