Geometry & MOs

Info

ID:	289307
PubChem CID:	104344732
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	311.09039
ΔH_f, kcal/mol:	0.83
Dipole, Da:	1.76
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-difluorophenyl)sulfanyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=NC(=NC(=C2)N)COC)C

DOS

IR

Vibrations