Geometry & MOs

Info

ID:	321819
PubChem CID:	126667016
Reduced:	ClFO3N7C18H19 (1)
Stoich.:	ABC3D7E18F19 (1)
Weight, g/mol:	435.122193
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	5.27
IP(EA), eV:	-9.03(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-5-fluoropyridin-3-yl)methyl]-4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C(N=CC(=C1)F)Cl)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4COCC[C@H]4O

DOS

IR

Vibrations