Geometry & MOs

Info

ID:	123429
PubChem CID:	50847013
Reduced:	SO2N3C9H9 (2)
Stoich.:	AB2C3D9E9 (2)
Weight, g/mol:	382.21689
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	5.69
IP(EA), eV:	-9.56(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-4-methyl-8-(3-piperidin-1-ylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CN(C=N1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations