Geometry & MOs

Info

ID:	120715
PubChem CID:	50741911
Reduced:	OS2N4C7H8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	4.82
Dipole, Da:	6.29
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-2-methylsulfanyl-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=C(NC(=S)NC2=O)N=C1SC

DOS

IR

Vibrations