Geometry & MOs

Info

ID:	120837
PubChem CID:	50746830
Reduced:	ClSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	453.09139
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	2.52
IP(EA), eV:	-8.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylsulfanyl]-5-(2-prop-2-enoxyphenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2CC(=O)NC3=C2C(=O)N=C(N3)SCC4=CC=CC=C4Cl)OC

DOS

IR

Vibrations