Geometry & MOs

Info

ID:	333163
PubChem CID:	127251711
Reduced:	O4N5H19C20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	403.111439
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	2.24
IP(EA), eV:	-8.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(3-fluoro-4-methylphenyl)sulfonylmorpholin-2-yl]pyrido[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC3=C(C=C2)OCCO3)C4=NC5=NC=NC(=C5C=C4)N

DOS

IR

Vibrations