Geometry & MOs

Info

ID:	326793
PubChem CID:	126688210
Reduced:	PSO3C7H9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	440.20845
ΔH_f, kcal/mol:	-169.57
Dipole, Da:	2.17
IP(EA), eV:	-9.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-fluoro-2-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-5-yl)pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CSP(=O)(O)OC1=CC=CC=C1

DOS

IR

Vibrations