Geometry & MOs

Info

ID:	378461
PubChem CID:	134224543
Reduced:	ClFOSN5C20H21 (1)
Stoich.:	ABCDE5F20G21 (1)
Weight, g/mol:	269.043439
ΔH_f, kcal/mol:	5.08
Dipole, Da:	6.02
IP(EA), eV:	-8.79(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluoro-4-methoxyphenyl)sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCCC[C@@H]2OC3=C(C(=C(C=C3)SNC4=NC=NC=C4)F)Cl

DOS

IR

Vibrations