Geometry & MOs

Info

ID:	84622
PubChem CID:	49868698
Reduced:	SO3F4N4H20C21 (1)
Stoich.:	AB3C4D4E20F21 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-242.34
Dipole, Da:	4.67
IP(EA), eV:	-9.95(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@@H](C1)N2C=NN=C2)NS(=O)(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F)F

DOS

IR

Vibrations