Geometry & MOs

Info

ID:	333175
PubChem CID:	127251723
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	403.111439
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	6.46
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOC(C2)C3=NC4=NC(=NC(=C4C=C3)N)C)OC

DOS

IR

Vibrations