Geometry & MOs

Info

ID:	120836
PubChem CID:	50746701
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	485.117605
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	4.56
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C2CC(=O)NC3=C2C(=O)N=C(N3)SCC4=CC=C(C=C4)C

DOS

IR

Vibrations