Geometry & MOs

Info

ID:	120832
PubChem CID:	50746564
Reduced:	ClSN3O3H22C23 (1)
Stoich.:	ABC3D3E22F23 (1)
Weight, g/mol:	449.120941
ΔH_f, kcal/mol:	-64.2
Dipole, Da:	5.1
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-(4-prop-2-ynoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2CC(=O)NC3=C2C(=O)N=C(N3C)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations