Geometry & MOs

Info

ID:	289315
PubChem CID:	104344969
Reduced:	ClOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	311.09039
ΔH_f, kcal/mol:	3.03
Dipole, Da:	1.78
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-difluorophenyl)sulfanyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COC)SC2=CC=CC=C2Cl

DOS

IR

Vibrations