Geometry & MOs

Info

ID:	187224
PubChem CID:	77546641
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	560.187561
ΔH_f, kcal/mol:	78.2
Dipole, Da:	6.68
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylphenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-(1-methylsulfonylpyrrolidin-3-yl)pyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=C(N=NN2CC3=CC=CC=C3)C4CCC5C(C4)CNN5

DOS

IR

Vibrations