Geometry & MOs

Info

ID:	305597
PubChem CID:	124961562
Reduced:	FO2N4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	439.201968
ΔH_f, kcal/mol:	-42.51
Dipole, Da:	3.8
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R)-1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1COC[C@H](N1C(=O)C2=CC3=C(N2)C(=CC=C3)F)C4=CC=NN4

DOS

IR

Vibrations