Geometry & MOs

Info

ID:	445979
PubChem CID:	135270975
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	553.131731
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	2.16
IP(EA), eV:	-9.72(2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-[3-(4-methylpiperazin-1-yl)propyl]-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CC1COCCCCCCC2CO2

DOS

IR

Vibrations