Geometry & MOs

Info

ID:	427777
PubChem CID:	135162496
Reduced:	SF3O3N7C29H32 (1)
Stoich.:	AB3C3D7E29F32 (1)
Weight, g/mol:	309.070261
ΔH_f, kcal/mol:	-169.4
Dipole, Da:	6.79
IP(EA), eV:	-9.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-chloro-4-(propan-2-ylamino)pyridin-3-yl]-1,3-thiazol-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)N/C(=C\2/C(=CC=NC2=O)NC3(CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F)CC#N)/N

DOS

IR

Vibrations