Geometry & MOs

Info

ID:	321905
PubChem CID:	126667255
Reduced:	ClF2N2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	418.156495
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	4.45
IP(EA), eV:	-9.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CC(=CN=C1Cl)F)[C@H]2C[C@@H](CN2)F

DOS

IR

Vibrations