Geometry & MOs

Info

ID:	125173
PubChem CID:	50913101
Reduced:	FSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	318.159295
ΔH_f, kcal/mol:	-52.84
Dipole, Da:	4.76
IP(EA), eV:	-8.61(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-7-phenyl-2-N-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C[C@@H](CC2=CC=C(C=C2)F)NS(=O)(=O)C3=CN=CC4=CC=CC=C43

DOS

IR

Vibrations