Geometry & MOs

Info

ID:	326295
PubChem CID:	126687290
Reduced:	FON2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	434.126944
ΔH_f, kcal/mol:	-48.78
Dipole, Da:	2.29
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-oxolan-3-yl] 3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1,4-dihydropyrimidin-6-yl]amino]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CN(C[C@H]2C1)CC3=CC=CC=C3)C4=CC(=C(C=C4)O)F

DOS

IR

Vibrations