Geometry & MOs

Info

ID:	120833
PubChem CID:	50746565
Reduced:	FSN3O3H20C24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	495.101955
ΔH_f, kcal/mol:	-33.07
Dipole, Da:	5.54
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC#C)C(=O)N=C1SCC4=CC=C(C=C4)F

DOS

IR

Vibrations