Geometry & MOs

Info

ID:	67444
PubChem CID:	46506489
Reduced:	ClN6H15C22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	188.3
Dipole, Da:	5.21
IP(EA), eV:	-8.67(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)N/N=C/C5=CC=C(C=C5)Cl

DOS

IR

Vibrations