Geometry & MOs

Info

ID:	449144
PubChem CID:	135296334
Reduced:	FN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	458.164871
ΔH_f, kcal/mol:	-119.55
Dipole, Da:	3.15
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]pyridin-3-yl]piperazin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCCOC2=C(C=CC(=C2)OC=O)F

DOS

IR

Vibrations