Geometry & MOs

Info

ID:	158094
PubChem CID:	56462972
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	401.24269
ΔH_f, kcal/mol:	-85.02
Dipole, Da:	5.44
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(dimethylamino)piperidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

DOS

IR

Vibrations