Geometry & MOs

Info

ID:	447675
PubChem CID:	135284662
Reduced:	SO2F3N3H16C21 (1)
Stoich.:	AB2C3D3E16F21 (1)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	-148.81
Dipole, Da:	3.95
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3-chloro-5-pyrazolo[1,5-a]pyrimidin-7-ylpyridin-2-yl)oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC(=S)NC(=O)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations