Geometry & MOs

Info

ID:	332890
PubChem CID:	127251314
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	412.154683
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	3.11
IP(EA), eV:	-9.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations