Geometry & MOs

Info

ID:	120831
PubChem CID:	50746546
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	455.10704
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	7.01
IP(EA), eV:	-8.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCSC1=NC(=O)C2=C(N1C)NC(=O)CC2C3=CC(=C(C=C3)OCC=C)OC

DOS

IR

Vibrations