Geometry & MOs

Info

ID:	289321
PubChem CID:	104345279
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	279.084161
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	4.29
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CO)CSC1=NC(=NC(=C1)N)COC

DOS

IR

Vibrations